1554 lines
68 KiB
Plaintext
1554 lines
68 KiB
Plaintext
LAMMPS data file. msi2lmp v3.9.7 / 24 Oct 2015 / CGCMM for pmma-poly-class2c
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152 atoms
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151 bonds
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280 angles
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371 dihedrals
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170 impropers
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8 atom types
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12 bond types
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26 angle types
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35 dihedral types
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19 improper types
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-3.031181000 16.410415000 xlo xhi
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-14.383047000 6.110202000 ylo yhi
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-11.174386000 3.653585000 zlo zhi
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Masses
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1 12.011150 # c
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2 12.011150 # c3
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3 12.011150 # c_1
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4 15.999400 # o_2
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5 1.007970 # hc
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6 15.999400 # o_1
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7 12.011150 # c2
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8 12.011150 # c1
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Pair Coeffs # lj/class2/coul/long
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1 0.0540000000 4.0100000000 # c
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2 0.0540000000 4.0100000000 # c3
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3 0.1200000000 3.8100000000 # c_1
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4 0.2400000000 3.4200000000 # o_2
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5 0.0200000000 2.9950000000 # hc
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6 0.2670000000 3.3000000000 # o_1
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7 0.0540000000 4.0100000000 # c2
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8 0.0540000000 4.0100000000 # c1
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Bond Coeffs # class2
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1 1.5202 253.7067 -423.0370 396.9000 # c-c_1
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2 1.5300 299.6700 -501.7700 679.8100 # c-c3
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3 1.5300 299.6700 -501.7700 679.8100 # c-c2
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4 1.1010 345.0000 -691.8900 844.6000 # c3-hc
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5 1.3683 367.1481 -794.7908 1055.2319 # c_1-o_2
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6 1.2020 851.1403 -1918.4882 2160.7659 # c_1-o_1
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7 1.4300 326.7273 -608.5306 689.0333 # c3-o_2
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8 1.1010 345.0000 -691.8900 844.6000 # hc-c2
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9 1.1010 345.0000 -691.8900 844.6000 # hc-c1
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10 1.5202 253.7067 -423.0370 396.9000 # c_1-c1
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11 1.5300 299.6700 -501.7700 679.8100 # c2-c1
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12 1.5300 299.6700 -501.7700 679.8100 # c3-c1
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Angle Coeffs # class2
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1 108.5295 51.9747 -9.4851 -10.9985 # c3-c-c_1
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2 108.5295 51.9747 -9.4851 -10.9985 # c_1-c-c2
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3 112.6700 39.5160 -7.4430 -9.5583 # c3-c-c3
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4 112.6700 39.5160 -7.4430 -9.5583 # c3-c-c2
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5 107.6600 39.6410 -12.9210 -2.4318 # hc-c3-hc
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6 110.7700 41.4530 -10.6040 5.1290 # c-c3-hc
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7 100.3182 38.8631 -3.8323 -7.9802 # c-c_1-o_2
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8 123.1451 55.5431 -17.2123 0.1348 # c-c_1-o_1
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9 120.7970 95.3446 -32.2869 6.3778 # o_2-c_1-o_1
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10 113.2880 61.2868 -28.9786 7.9929 # c3-o_2-c_1
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11 107.6880 65.4801 -10.3498 5.8866 # o_2-c3-hc
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12 112.6700 39.5160 -7.4430 -9.5583 # c2-c-c2
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13 107.6600 39.6410 -12.9210 -2.4318 # hc-c2-hc
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14 110.7700 41.4530 -10.6040 5.1290 # c-c2-hc
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15 112.6700 39.5160 -7.4430 -9.5583 # c-c2-c
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16 107.7336 40.6099 -28.8121 0.0000 # c_1-c1-hc
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17 110.7700 41.4530 -10.6040 5.1290 # hc-c1-c2
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18 110.7700 41.4530 -10.6040 5.1290 # c3-c1-hc
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19 108.5295 51.9747 -9.4851 -10.9985 # c_1-c1-c2
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20 108.5295 51.9747 -9.4851 -10.9985 # c3-c1-c_1
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21 112.6700 39.5160 -7.4430 -9.5583 # c3-c1-c2
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22 110.7700 41.4530 -10.6040 5.1290 # hc-c2-c1
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23 112.6700 39.5160 -7.4430 -9.5583 # c-c2-c1
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24 100.3182 38.8631 -3.8323 -7.9802 # o_2-c_1-c1
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25 123.1451 55.5431 -17.2123 0.1348 # o_1-c_1-c1
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26 110.7700 41.4530 -10.6040 5.1290 # hc-c3-c1
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Dihedral Coeffs # class2
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1 1.8341 0.0000 2.0603 0.0000 -0.0195 0.0000# c3-c-c_1-o_2
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2 0.0442 0.0000 0.0292 0.0000 0.0562 0.0000# c3-c-c_1-o_1
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3 1.8341 0.0000 2.0603 0.0000 -0.0195 0.0000# c2-c-c_1-o_2
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4 0.0442 0.0000 0.0292 0.0000 0.0562 0.0000# c2-c-c_1-o_1
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5 -0.0228 0.0000 0.0280 0.0000 -0.1863 0.0000# c_1-c-c3-hc
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6 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# c3-c-c3-hc
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7 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# c2-c-c3-hc
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8 -0.0228 0.0000 0.0280 0.0000 -0.1863 0.0000# c_1-c-c2-hc
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9 0.0972 0.0000 0.0722 0.0000 -0.2581 0.0000# c_1-c-c2-c
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10 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# c3-c-c2-hc
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11 0.0000 0.0000 0.0514 0.0000 -0.1430 0.0000# c3-c-c2-c
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12 -2.5594 0.0000 2.2013 0.0000 0.0325 0.0000# c-c_1-o_2-c3
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13 -2.5594 0.0000 2.2013 0.0000 0.0325 0.0000# o_1-c_1-o_2-c3
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14 0.0000 0.0000 0.0000 0.0000 -0.1932 0.0000# hc-c3-o_2-c_1
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15 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# c2-c-c2-hc
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16 0.0000 0.0000 0.0514 0.0000 -0.1430 0.0000# c2-c-c2-c
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17 0.0972 0.0000 0.0722 0.0000 -0.2581 0.0000# c_1-c-c2-c1
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18 0.0000 0.0000 0.0514 0.0000 -0.1430 0.0000# c2-c-c2-c1
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19 0.0000 0.0000 0.0514 0.0000 -0.1430 0.0000# c3-c-c2-c1
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20 -0.6359 0.0000 1.4807 0.0000 -0.0438 0.0000# o_2-c_1-c1-hc
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21 -0.1804 0.0000 0.0012 0.0000 0.0371 0.0000# o_1-c_1-c1-hc
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22 1.8341 0.0000 2.0603 0.0000 -0.0195 0.0000# o_2-c_1-c1-c2
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23 0.0442 0.0000 0.0292 0.0000 0.0562 0.0000# o_1-c_1-c1-c2
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24 1.8341 0.0000 2.0603 0.0000 -0.0195 0.0000# o_2-c_1-c1-c3
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25 0.0442 0.0000 0.0292 0.0000 0.0562 0.0000# o_1-c_1-c1-c3
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26 -0.1432 0.0000 0.0617 0.0000 -0.1083 0.0000# hc-c2-c1-hc
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27 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# c-c2-c1-hc
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28 -0.0228 0.0000 0.0280 0.0000 -0.1863 0.0000# hc-c2-c1-c_1
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29 0.0972 0.0000 0.0722 0.0000 -0.2581 0.0000# c-c2-c1-c_1
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30 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# hc-c2-c1-c3
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31 0.0000 0.0000 0.0514 0.0000 -0.1430 0.0000# c-c2-c1-c3
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32 -0.1432 0.0000 0.0617 0.0000 -0.1083 0.0000# hc-c3-c1-hc
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33 -0.0228 0.0000 0.0280 0.0000 -0.1863 0.0000# hc-c3-c1-c_1
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34 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# hc-c3-c1-c2
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35 -2.5594 0.0000 2.2013 0.0000 0.0325 0.0000# c1-c_1-o_2-c3
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Improper Coeffs # class2
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1 46.9264 0.0000 # c-c_1-o_2-o_1
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2 46.9264 0.0000 # o_2-c_1-o_1-c1
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3 0.0000 0.0000
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4 0.0000 0.0000
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5 0.0000 0.0000
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6 0.0000 0.0000
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7 0.0000 0.0000
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8 0.0000 0.0000
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9 0.0000 0.0000
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10 0.0000 0.0000
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11 0.0000 0.0000
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12 0.0000 0.0000
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13 0.0000 0.0000
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14 0.0000 0.0000
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15 0.0000 0.0000
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16 0.0000 0.0000
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17 0.0000 0.0000
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18 0.0000 0.0000
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19 0.0000 0.0000
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BondBond Coeffs
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1 5.4199 1.5300 1.5202
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2 5.4199 1.5202 1.5300
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3 0.0000 1.5300 1.5300
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4 0.0000 1.5300 1.5300
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5 5.3316 1.1010 1.1010
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6 3.3872 1.5300 1.1010
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7 19.1069 1.5202 1.3683
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8 46.0685 1.5202 1.2020
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9 121.4880 1.3683 1.2020
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10 45.4503 1.4300 1.3683
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11 5.6454 1.4300 1.1010
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12 0.0000 1.5300 1.5300
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13 5.3316 1.1010 1.1010
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14 3.3872 1.5300 1.1010
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15 0.0000 1.5300 1.5300
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16 0.7115 1.5202 1.1010
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17 3.3872 1.1010 1.5300
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18 3.3872 1.5300 1.1010
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19 5.4199 1.5202 1.5300
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20 5.4199 1.5300 1.5202
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21 0.0000 1.5300 1.5300
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22 3.3872 1.1010 1.5300
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23 0.0000 1.5300 1.5300
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24 19.1069 1.3683 1.5202
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25 46.0685 1.2020 1.5202
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26 3.3872 1.1010 1.5300
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BondAngle Coeffs
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1 18.1678 15.8758 1.5300 1.5202
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2 15.8758 18.1678 1.5202 1.5300
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3 8.0160 8.0160 1.5300 1.5300
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4 8.0160 8.0160 1.5300 1.5300
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5 18.1030 18.1030 1.1010 1.1010
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6 20.7540 11.4210 1.5300 1.1010
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7 1.3435 4.6978 1.5202 1.3683
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8 34.9982 37.1298 1.5202 1.2020
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9 71.8761 76.2614 1.3683 1.2020
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10 41.9116 46.4608 1.4300 1.3683
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11 57.4975 8.6864 1.4300 1.1010
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12 8.0160 8.0160 1.5300 1.5300
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13 18.1030 18.1030 1.1010 1.1010
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14 20.7540 11.4210 1.5300 1.1010
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15 8.0160 8.0160 1.5300 1.5300
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16 12.4632 9.1765 1.5202 1.1010
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17 11.4210 20.7540 1.1010 1.5300
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18 20.7540 11.4210 1.5300 1.1010
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19 15.8758 18.1678 1.5202 1.5300
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20 18.1678 15.8758 1.5300 1.5202
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21 8.0160 8.0160 1.5300 1.5300
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22 11.4210 20.7540 1.1010 1.5300
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23 8.0160 8.0160 1.5300 1.5300
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24 4.6978 1.3435 1.3683 1.5202
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25 37.1298 34.9982 1.2020 1.5202
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26 11.4210 20.7540 1.1010 1.5300
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AngleAngle Coeffs
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1 0.0000 0.0000 0.0000 100.3182 120.7970 123.1451
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2 0.0000 0.0000 0.0000 120.7970 123.1451 100.3182
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3 0.0000 0.0000 0.0000 112.6700 108.5295 108.5295
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4 0.0000 0.0000 0.0000 108.5295 108.5295 112.6700
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5 -0.1729 -0.1729 -0.1729 112.6700 112.6700 112.6700
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6 -0.3157 -0.3157 -0.3157 107.6600 107.6600 107.6600
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7 0.2738 -0.4825 0.2738 110.7700 107.6600 110.7700
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8 0.0000 0.0000 0.0000 107.6880 107.6600 107.6880
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9 0.0000 0.0000 0.0000 108.5295 112.6700 108.5295
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10 -0.1729 -0.1729 -0.1729 112.6700 112.6700 112.6700
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11 0.2738 -0.4825 0.2738 110.7700 107.6600 110.7700
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12 -1.3199 -1.3199 0.1184 112.6700 110.7700 110.7700
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13 1.0827 2.0403 -1.8202 107.7336 110.7700 108.5295
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14 2.0403 -1.8202 1.0827 108.5295 107.7336 110.7700
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15 0.1184 -1.3199 -1.3199 110.7700 110.7700 112.6700
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16 0.0000 0.0000 0.0000 108.5295 108.5295 112.6700
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17 0.2738 0.2738 -0.4825 107.6600 110.7700 110.7700
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18 0.1184 -1.3199 -1.3199 110.7700 110.7700 112.6700
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19 0.2738 0.2738 -0.4825 107.6600 110.7700 110.7700
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AngleAngleTorsion Coeffs
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1 0.0000 108.5295 100.3182
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2 -8.0190 108.5295 123.1451
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3 0.0000 108.5295 100.3182
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4 -8.0190 108.5295 123.1451
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5 -5.3624 108.5295 110.7700
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6 -16.1640 112.6700 110.7700
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7 -16.1640 112.6700 110.7700
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8 -5.3624 108.5295 110.7700
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9 -0.3801 108.5295 112.6700
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10 -16.1640 112.6700 110.7700
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11 -22.0450 112.6700 112.6700
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12 0.0000 100.3182 113.2880
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13 0.0000 120.7970 113.2880
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14 0.0000 107.6880 113.2880
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15 -16.1640 112.6700 110.7700
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16 -22.0450 112.6700 112.6700
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17 -0.3801 108.5295 112.6700
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18 -22.0450 112.6700 112.6700
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19 -22.0450 112.6700 112.6700
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20 0.0000 100.3182 107.7336
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21 -15.3496 123.1451 107.7336
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22 0.0000 100.3182 108.5295
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23 -8.0190 123.1451 108.5295
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24 0.0000 100.3182 108.5295
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25 -8.0190 123.1451 108.5295
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26 -12.5640 110.7700 110.7700
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27 -16.1640 112.6700 110.7700
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28 -5.3624 110.7700 108.5295
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29 -0.3801 112.6700 108.5295
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30 -16.1640 110.7700 112.6700
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31 -22.0450 112.6700 112.6700
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32 -12.5640 110.7700 110.7700
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33 -5.3624 110.7700 108.5295
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34 -16.1640 110.7700 112.6700
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35 0.0000 100.3182 113.2880
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EndBondTorsion Coeffs
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1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5300 1.3683
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2 0.2654 0.0503 0.1046 -0.2810 0.0816 -0.1522 1.5300 1.2020
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3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5300 1.3683
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4 0.2654 0.0503 0.1046 -0.2810 0.0816 -0.1522 1.5300 1.2020
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5 -0.0204 0.3628 -0.4426 -0.0097 -0.0315 -0.0755 1.5202 1.1010
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6 0.2486 0.2422 -0.0925 0.0814 0.0591 0.2219 1.5300 1.1010
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7 0.2486 0.2422 -0.0925 0.0814 0.0591 0.2219 1.5300 1.1010
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8 -0.0204 0.3628 -0.4426 -0.0097 -0.0315 -0.0755 1.5202 1.1010
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9 0.0055 0.0060 -0.0009 0.0062 -0.0002 0.0036 1.5202 1.5300
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10 0.2486 0.2422 -0.0925 0.0814 0.0591 0.2219 1.5300 1.1010
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11 -0.0732 0.0000 0.0000 -0.0732 0.0000 0.0000 1.5300 1.5300
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12 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5202 1.4300
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13 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.2020 1.4300
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14 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1010 1.3683
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15 0.2486 0.2422 -0.0925 0.0814 0.0591 0.2219 1.5300 1.1010
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16 -0.0732 0.0000 0.0000 -0.0732 0.0000 0.0000 1.5300 1.5300
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17 0.0055 0.0060 -0.0009 0.0062 -0.0002 0.0036 1.5202 1.5300
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18 -0.0732 0.0000 0.0000 -0.0732 0.0000 0.0000 1.5300 1.5300
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19 -0.0732 0.0000 0.0000 -0.0732 0.0000 0.0000 1.5300 1.5300
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20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.3683 1.1010
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21 -0.2298 0.0354 0.3853 1.2143 0.2831 0.3916 1.2020 1.1010
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22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.3683 1.5300
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23 -0.2810 0.0816 -0.1522 0.2654 0.0503 0.1046 1.2020 1.5300
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24 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.3683 1.5300
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25 -0.2810 0.0816 -0.1522 0.2654 0.0503 0.1046 1.2020 1.5300
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26 0.2130 0.3120 0.0777 0.2130 0.3120 0.0777 1.1010 1.1010
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27 0.2486 0.2422 -0.0925 0.0814 0.0591 0.2219 1.5300 1.1010
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28 -0.0097 -0.0315 -0.0755 -0.0204 0.3628 -0.4426 1.1010 1.5202
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29 0.0062 -0.0002 0.0036 0.0055 0.0060 -0.0009 1.5300 1.5202
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30 0.0814 0.0591 0.2219 0.2486 0.2422 -0.0925 1.1010 1.5300
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31 -0.0732 0.0000 0.0000 -0.0732 0.0000 0.0000 1.5300 1.5300
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32 0.2130 0.3120 0.0777 0.2130 0.3120 0.0777 1.1010 1.1010
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33 -0.0097 -0.0315 -0.0755 -0.0204 0.3628 -0.4426 1.1010 1.5202
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34 0.0814 0.0591 0.2219 0.2486 0.2422 -0.0925 1.1010 1.5300
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35 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5202 1.4300
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MiddleBondTorsion Coeffs
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1 -17.3280 -5.7900 -3.2114 1.5202
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2 0.3388 -0.1096 0.1219 1.5202
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3 -17.3280 -5.7900 -3.2114 1.5202
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4 0.3388 -0.1096 0.1219 1.5202
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5 -3.5039 1.2458 -0.7610 1.5300
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6 -14.8790 -3.6581 -0.3138 1.5300
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7 -14.8790 -3.6581 -0.3138 1.5300
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8 -3.5039 1.2458 -0.7610 1.5300
|
|
9 -1.5945 0.2267 -0.6911 1.5300
|
|
10 -14.8790 -3.6581 -0.3138 1.5300
|
|
11 -17.7870 -7.1877 0.0000 1.5300
|
|
12 1.3445 3.5515 -4.9202 1.3683
|
|
13 4.2600 0.0000 0.0000 1.3683
|
|
14 0.0000 0.0000 0.0000 1.4300
|
|
15 -14.8790 -3.6581 -0.3138 1.5300
|
|
16 -17.7870 -7.1877 0.0000 1.5300
|
|
17 -1.5945 0.2267 -0.6911 1.5300
|
|
18 -17.7870 -7.1877 0.0000 1.5300
|
|
19 -17.7870 -7.1877 0.0000 1.5300
|
|
20 -13.7686 -2.5959 1.1934 1.5202
|
|
21 0.2359 0.9139 0.9594 1.5202
|
|
22 -17.3280 -5.7900 -3.2114 1.5202
|
|
23 0.3388 -0.1096 0.1219 1.5202
|
|
24 -17.3280 -5.7900 -3.2114 1.5202
|
|
25 0.3388 -0.1096 0.1219 1.5202
|
|
26 -14.2610 -0.5322 -0.4864 1.5300
|
|
27 -14.8790 -3.6581 -0.3138 1.5300
|
|
28 -3.5039 1.2458 -0.7610 1.5300
|
|
29 -1.5945 0.2267 -0.6911 1.5300
|
|
30 -14.8790 -3.6581 -0.3138 1.5300
|
|
31 -17.7870 -7.1877 0.0000 1.5300
|
|
32 -14.2610 -0.5322 -0.4864 1.5300
|
|
33 -3.5039 1.2458 -0.7610 1.5300
|
|
34 -14.8790 -3.6581 -0.3138 1.5300
|
|
35 1.3445 3.5515 -4.9202 1.3683
|
|
|
|
BondBond13 Coeffs
|
|
|
|
1 0.0000 1.5300 1.3683
|
|
2 0.0000 1.5300 1.2020
|
|
3 0.0000 1.5300 1.3683
|
|
4 0.0000 1.5300 1.2020
|
|
5 0.0000 1.5202 1.1010
|
|
6 0.0000 1.5300 1.1010
|
|
7 0.0000 1.5300 1.1010
|
|
8 0.0000 1.5202 1.1010
|
|
9 0.0000 1.5202 1.5300
|
|
10 0.0000 1.5300 1.1010
|
|
11 0.0000 1.5300 1.5300
|
|
12 0.0000 1.5202 1.4300
|
|
13 0.0000 1.2020 1.4300
|
|
14 0.0000 1.1010 1.3683
|
|
15 0.0000 1.5300 1.1010
|
|
16 0.0000 1.5300 1.5300
|
|
17 0.0000 1.5202 1.5300
|
|
18 0.0000 1.5300 1.5300
|
|
19 0.0000 1.5300 1.5300
|
|
20 0.0000 1.3683 1.1010
|
|
21 0.0000 1.2020 1.1010
|
|
22 0.0000 1.3683 1.5300
|
|
23 0.0000 1.2020 1.5300
|
|
24 0.0000 1.3683 1.5300
|
|
25 0.0000 1.2020 1.5300
|
|
26 0.0000 1.1010 1.1010
|
|
27 0.0000 1.5300 1.1010
|
|
28 0.0000 1.1010 1.5202
|
|
29 0.0000 1.5300 1.5202
|
|
30 0.0000 1.1010 1.5300
|
|
31 0.0000 1.5300 1.5300
|
|
32 0.0000 1.1010 1.1010
|
|
33 0.0000 1.1010 1.5202
|
|
34 0.0000 1.1010 1.5300
|
|
35 0.0000 1.5202 1.4300
|
|
|
|
AngleTorsion Coeffs
|
|
|
|
1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 108.5295 100.3182
|
|
2 0.0885 -1.3703 -0.5452 0.6750 0.5965 0.6725 108.5295 123.1451
|
|
3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 108.5295 100.3182
|
|
4 0.0885 -1.3703 -0.5452 0.6750 0.5965 0.6725 108.5295 123.1451
|
|
5 -0.7466 -0.9448 -0.6321 0.0162 1.4211 -1.4092 108.5295 110.7700
|
|
6 -0.2454 0.0000 -0.1136 0.3113 0.4516 -0.1988 112.6700 110.7700
|
|
7 -0.2454 0.0000 -0.1136 0.3113 0.4516 -0.1988 112.6700 110.7700
|
|
8 -0.7466 -0.9448 -0.6321 0.0162 1.4211 -1.4092 108.5295 110.7700
|
|
9 0.0515 -0.0674 -0.0474 -0.2607 0.3203 -0.2283 108.5295 112.6700
|
|
10 -0.2454 0.0000 -0.1136 0.3113 0.4516 -0.1988 112.6700 110.7700
|
|
11 0.3886 -0.3139 0.1389 0.3886 -0.3139 0.1389 112.6700 112.6700
|
|
12 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 100.3182 113.2880
|
|
13 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 120.7970 113.2880
|
|
14 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 107.6880 113.2880
|
|
15 -0.2454 0.0000 -0.1136 0.3113 0.4516 -0.1988 112.6700 110.7700
|
|
16 0.3886 -0.3139 0.1389 0.3886 -0.3139 0.1389 112.6700 112.6700
|
|
17 0.0515 -0.0674 -0.0474 -0.2607 0.3203 -0.2283 108.5295 112.6700
|
|
18 0.3886 -0.3139 0.1389 0.3886 -0.3139 0.1389 112.6700 112.6700
|
|
19 0.3886 -0.3139 0.1389 0.3886 -0.3139 0.1389 112.6700 112.6700
|
|
20 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 100.3182 107.7336
|
|
21 -1.4946 0.7308 -0.2083 9.1299 -0.4847 0.3582 123.1451 107.7336
|
|
22 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 100.3182 108.5295
|
|
23 0.6750 0.5965 0.6725 0.0885 -1.3703 -0.5452 123.1451 108.5295
|
|
24 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 100.3182 108.5295
|
|
25 0.6750 0.5965 0.6725 0.0885 -1.3703 -0.5452 123.1451 108.5295
|
|
26 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.7700 110.7700
|
|
27 -0.2454 0.0000 -0.1136 0.3113 0.4516 -0.1988 112.6700 110.7700
|
|
28 0.0162 1.4211 -1.4092 -0.7466 -0.9448 -0.6321 110.7700 108.5295
|
|
29 -0.2607 0.3203 -0.2283 0.0515 -0.0674 -0.0474 112.6700 108.5295
|
|
30 0.3113 0.4516 -0.1988 -0.2454 0.0000 -0.1136 110.7700 112.6700
|
|
31 0.3886 -0.3139 0.1389 0.3886 -0.3139 0.1389 112.6700 112.6700
|
|
32 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.7700 110.7700
|
|
33 0.0162 1.4211 -1.4092 -0.7466 -0.9448 -0.6321 110.7700 108.5295
|
|
34 0.3113 0.4516 -0.1988 -0.2454 0.0000 -0.1136 110.7700 112.6700
|
|
35 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 100.3182 113.2880
|
|
|
|
Atoms # full
|
|
|
|
1 1 1 0.000000 -0.633418000 3.634698000 -0.520447000 0 0 0 # c
|
|
2 1 2 -0.159000 -1.681078000 4.738564000 -0.675925000 0 0 0 # c3
|
|
3 1 3 0.266000 -1.387493000 2.511538000 0.201451000 0 0 0 # c_1
|
|
4 1 4 -0.266000 -0.833117000 2.333802000 1.415262000 0 0 0 # o_2
|
|
5 1 2 -0.026000 -1.417542000 1.295223000 2.194265000 0 0 0 # c3
|
|
6 1 5 0.053000 -2.476360000 1.527665000 2.374308000 0 0 0 # hc
|
|
7 1 5 0.053000 -2.531181000 4.392408000 -1.284049000 0 0 0 # hc
|
|
8 1 5 0.053000 -0.886560000 1.228488000 3.153585000 0 0 0 # hc
|
|
9 1 5 0.053000 -1.228588000 5.610202000 -1.173631000 0 0 0 # hc
|
|
10 1 5 0.053000 -2.070284000 5.062610000 0.301509000 0 0 0 # hc
|
|
11 1 5 0.053000 -1.325591000 0.341689000 1.655498000 0 0 0 # hc
|
|
12 1 2 -0.159000 0.512831000 4.150735000 0.351569000 0 0 0 # c3
|
|
13 1 5 0.053000 1.055972000 4.940079000 -0.192088000 0 0 0 # hc
|
|
14 1 5 0.053000 1.238964000 3.371721000 0.627844000 0 0 0 # hc
|
|
15 1 5 0.053000 0.117814000 4.600272000 1.276936000 0 0 0 # hc
|
|
16 1 6 -0.133000 -2.322596000 1.880616000 -0.204263000 0 0 0 # o_1
|
|
17 2 1 0.000000 0.804693000 2.145964000 -2.336744000 0 0 0 # c
|
|
18 2 7 -0.106000 -0.294421000 3.170838000 -1.953678000 0 0 0 # c2
|
|
19 2 3 0.266000 2.138571000 2.832879000 -2.103460000 0 0 0 # c_1
|
|
20 2 4 -0.266000 2.372145000 3.671394000 -3.131947000 0 0 0 # o_2
|
|
21 2 2 -0.026000 3.602748000 4.383361000 -3.054350000 0 0 0 # c3
|
|
22 2 5 0.053000 3.610506000 4.998838000 -2.143924000 0 0 0 # hc
|
|
23 2 5 0.053000 3.694800000 5.030836000 -3.937109000 0 0 0 # hc
|
|
24 2 5 0.053000 -1.235915000 2.773341000 -2.374311000 0 0 0 # hc
|
|
25 2 5 0.053000 -0.081285000 4.091302000 -2.526023000 0 0 0 # hc
|
|
26 2 5 0.053000 4.436044000 3.667105000 -3.035015000 0 0 0 # hc
|
|
27 2 2 -0.159000 0.611666000 1.991584000 -3.851496000 0 0 0 # c3
|
|
28 2 5 0.053000 -0.289273000 1.387825000 -4.043900000 0 0 0 # hc
|
|
29 2 5 0.053000 1.463121000 1.506181000 -4.351096000 0 0 0 # hc
|
|
30 2 5 0.053000 0.447238000 2.968089000 -4.333583000 0 0 0 # hc
|
|
31 2 6 -0.133000 2.890594000 2.696257000 -1.179564000 0 0 0 # o_1
|
|
32 3 1 0.000000 1.397177000 -0.496953000 -1.800162000 0 0 0 # c
|
|
33 3 7 -0.106000 0.691539000 0.852868000 -1.495129000 0 0 0 # c2
|
|
34 3 3 0.266000 0.695638000 -1.078791000 -3.017470000 0 0 0 # c_1
|
|
35 3 4 -0.266000 -0.433002000 -1.685271000 -2.599657000 0 0 0 # o_2
|
|
36 3 2 -0.026000 -1.200644000 -2.295669000 -3.631502000 0 0 0 # c3
|
|
37 3 5 0.053000 -1.507749000 -1.530598000 -4.358027000 0 0 0 # hc
|
|
38 3 5 0.053000 -2.091554000 -2.757962000 -3.184979000 0 0 0 # hc
|
|
39 3 5 0.053000 0.980971000 1.115979000 -0.462722000 0 0 0 # hc
|
|
40 3 5 0.053000 -0.384900000 0.614574000 -1.458910000 0 0 0 # hc
|
|
41 3 5 0.053000 -0.594468000 -3.067094000 -4.126610000 0 0 0 # hc
|
|
42 3 2 -0.159000 1.017164000 -1.351769000 -0.581861000 0 0 0 # c3
|
|
43 3 5 0.053000 1.624485000 -1.039640000 0.282512000 0 0 0 # hc
|
|
44 3 5 0.053000 1.174800000 -2.428888000 -0.737066000 0 0 0 # hc
|
|
45 3 5 0.053000 -0.036762000 -1.199383000 -0.300261000 0 0 0 # hc
|
|
46 3 6 -0.133000 1.027390000 -1.028862000 -4.168218000 0 0 0 # o_1
|
|
47 4 1 0.000000 3.966949000 -1.439368000 -2.191285000 0 0 0 # c
|
|
48 4 7 -0.106000 2.913413000 -0.313606000 -2.028563000 0 0 0 # c2
|
|
49 4 3 0.266000 3.989592000 -2.240375000 -0.907672000 0 0 0 # c_1
|
|
50 4 4 -0.266000 4.599493000 -1.508560000 0.045550000 0 0 0 # o_2
|
|
51 4 2 -0.026000 4.686298000 -2.139943000 1.318815000 0 0 0 # c3
|
|
52 4 5 0.053000 3.673589000 -2.349798000 1.690021000 0 0 0 # hc
|
|
53 4 5 0.053000 5.200688000 -1.464754000 2.016189000 0 0 0 # hc
|
|
54 4 5 0.053000 3.037439000 0.331225000 -2.915449000 0 0 0 # hc
|
|
55 4 5 0.053000 3.252029000 0.280214000 -1.163342000 0 0 0 # hc
|
|
56 4 5 0.053000 5.255838000 -3.074913000 1.223300000 0 0 0 # hc
|
|
57 4 2 -0.159000 5.282529000 -0.651603000 -2.269945000 0 0 0 # c3
|
|
58 4 5 0.053000 5.346025000 -0.148371000 -3.247479000 0 0 0 # hc
|
|
59 4 5 0.053000 6.171959000 -1.287625000 -2.151011000 0 0 0 # hc
|
|
60 4 5 0.053000 5.331038000 0.138310000 -1.504257000 0 0 0 # hc
|
|
61 4 6 -0.133000 3.545053000 -3.337606000 -0.715715000 0 0 0 # o_1
|
|
62 5 1 0.000000 4.620833000 -3.326693000 -4.109533000 0 0 0 # c
|
|
63 5 7 -0.106000 3.652503000 -2.337506000 -3.407769000 0 0 0 # c2
|
|
64 5 3 0.266000 5.653604000 -2.472614000 -4.831647000 0 0 0 # c_1
|
|
65 5 4 -0.266000 5.111475000 -2.022075000 -5.980401000 0 0 0 # o_2
|
|
66 5 2 -0.026000 5.971771000 -1.203306000 -6.765481000 0 0 0 # c3
|
|
67 5 5 0.053000 6.260026000 -0.316003000 -6.184475000 0 0 0 # hc
|
|
68 5 5 0.053000 5.435290000 -0.890960000 -7.671954000 0 0 0 # hc
|
|
69 5 5 0.053000 2.753672000 -2.924820000 -3.151292000 0 0 0 # hc
|
|
70 5 5 0.053000 3.352208000 -1.638604000 -4.206128000 0 0 0 # hc
|
|
71 5 5 0.053000 6.864808000 -1.779197000 -7.046079000 0 0 0 # hc
|
|
72 5 2 -0.159000 3.708002000 -3.959156000 -5.169887000 0 0 0 # c3
|
|
73 5 5 0.053000 3.031714000 -4.679313000 -4.682555000 0 0 0 # hc
|
|
74 5 5 0.053000 4.256861000 -4.488719000 -5.962328000 0 0 0 # hc
|
|
75 5 5 0.053000 3.068976000 -3.201001000 -5.649870000 0 0 0 # hc
|
|
76 5 6 -0.133000 6.768331000 -2.204430000 -4.480250000 0 0 0 # o_1
|
|
77 6 1 0.000000 6.093263000 -5.587913000 -3.560636000 0 0 0 # c
|
|
78 6 7 -0.106000 5.308751000 -4.312834000 -3.138300000 0 0 0 # c2
|
|
79 6 3 0.266000 5.049508000 -6.603485000 -4.003777000 0 0 0 # c_1
|
|
80 6 4 -0.266000 4.554427000 -7.203560000 -2.902940000 0 0 0 # o_2
|
|
81 6 2 -0.026000 3.562981000 -8.192962000 -3.156902000 0 0 0 # c3
|
|
82 6 5 0.053000 2.705493000 -7.727344000 -3.662190000 0 0 0 # hc
|
|
83 6 5 0.053000 3.237173000 -8.622824000 -2.199861000 0 0 0 # hc
|
|
84 6 5 0.053000 5.995489000 -3.722546000 -2.507421000 0 0 0 # hc
|
|
85 6 5 0.053000 4.514555000 -4.679531000 -2.467788000 0 0 0 # hc
|
|
86 6 5 0.053000 3.991532000 -8.983665000 -3.788604000 0 0 0 # hc
|
|
87 6 2 -0.159000 6.684506000 -6.073042000 -2.229026000 0 0 0 # c3
|
|
88 6 5 0.053000 7.545290000 -5.439783000 -1.961956000 0 0 0 # hc
|
|
89 6 5 0.053000 7.027618000 -7.117413000 -2.257204000 0 0 0 # hc
|
|
90 6 5 0.053000 5.953601000 -5.976673000 -1.410522000 0 0 0 # hc
|
|
91 6 6 -0.133000 4.679701000 -6.860981000 -5.114546000 0 0 0 # o_1
|
|
92 7 1 0.000000 8.191866000 -6.276687000 -5.226719000 0 0 0 # c
|
|
93 7 7 -0.106000 7.125233000 -5.298659000 -4.672132000 0 0 0 # c2
|
|
94 7 3 0.266000 9.135855000 -6.617834000 -4.092568000 0 0 0 # c_1
|
|
95 7 4 -0.266000 9.934906000 -5.557047000 -3.864645000 0 0 0 # o_2
|
|
96 7 2 -0.026000 10.892382000 -5.742399000 -2.827400000 0 0 0 # c3
|
|
97 7 5 0.053000 11.553396000 -6.580327000 -3.089232000 0 0 0 # hc
|
|
98 7 5 0.053000 10.370519000 -5.952330000 -1.883435000 0 0 0 # hc
|
|
99 7 5 0.053000 6.567923000 -4.948063000 -5.557544000 0 0 0 # hc
|
|
100 7 5 0.053000 7.696444000 -4.433111000 -4.298730000 0 0 0 # hc
|
|
101 7 5 0.053000 11.485685000 -4.823608000 -2.723420000 0 0 0 # hc
|
|
102 7 2 -0.159000 8.957459000 -5.391017000 -6.221052000 0 0 0 # c3
|
|
103 7 5 0.053000 8.333050000 -5.226114000 -7.113266000 0 0 0 # hc
|
|
104 7 5 0.053000 9.910684000 -5.832380000 -6.545212000 0 0 0 # hc
|
|
105 7 5 0.053000 9.175643000 -4.397358000 -5.799012000 0 0 0 # hc
|
|
106 7 6 -0.133000 9.199344000 -7.640210000 -3.468747000 0 0 0 # o_1
|
|
107 8 1 0.000000 8.262760000 -8.564497000 -6.769855000 0 0 0 # c
|
|
108 8 7 -0.106000 7.556560000 -7.548515000 -5.830486000 0 0 0 # c2
|
|
109 8 3 0.266000 8.456504000 -7.871008000 -8.103271000 0 0 0 # c_1
|
|
110 8 4 -0.266000 7.266992000 -7.835138000 -8.736810000 0 0 0 # o_2
|
|
111 8 2 -0.026000 7.283962000 -7.192355000 -10.006775000 0 0 0 # c3
|
|
112 8 5 0.053000 6.270957000 -7.218684000 -10.431104000 0 0 0 # hc
|
|
113 8 5 0.053000 7.976685000 -7.723474000 -10.674386000 0 0 0 # hc
|
|
114 8 5 0.053000 7.154862000 -8.142299000 -4.991093000 0 0 0 # hc
|
|
115 8 5 0.053000 6.685583000 -7.189461000 -6.402577000 0 0 0 # hc
|
|
116 8 5 0.053000 7.603477000 -6.148355000 -9.881849000 0 0 0 # hc
|
|
117 8 2 -0.159000 7.166774000 -9.625239000 -6.960353000 0 0 0 # c3
|
|
118 8 5 0.053000 7.098119000 -10.241527000 -6.050359000 0 0 0 # hc
|
|
119 8 5 0.053000 7.344500000 -10.294304000 -7.814393000 0 0 0 # hc
|
|
120 8 5 0.053000 6.177875000 -9.159550000 -7.097847000 0 0 0 # hc
|
|
121 8 6 -0.133000 9.457828000 -7.401923000 -8.564177000 0 0 0 # o_1
|
|
122 9 1 0.000000 10.528174000 -10.165533000 -6.728540000 0 0 0 # c
|
|
123 9 7 -0.106000 9.586302000 -9.079899000 -6.157574000 0 0 0 # c2
|
|
124 9 3 0.266000 9.693571000 -11.386060000 -7.060668000 0 0 0 # c_1
|
|
125 9 4 -0.266000 9.222904000 -11.936493000 -5.924360000 0 0 0 # o_2
|
|
126 9 2 -0.026000 8.442799000 -13.113503000 -6.108579000 0 0 0 # c3
|
|
127 9 5 0.053000 8.109656000 -13.475726000 -5.126573000 0 0 0 # hc
|
|
128 9 5 0.053000 9.056854000 -13.883047000 -6.596524000 0 0 0 # hc
|
|
129 9 5 0.053000 10.218024000 -8.201376000 -5.957354000 0 0 0 # hc
|
|
130 9 5 0.053000 9.284047000 -9.466335000 -5.169165000 0 0 0 # hc
|
|
131 9 5 0.053000 7.568042000 -12.877858000 -6.730325000 0 0 0 # hc
|
|
132 9 2 -0.159000 11.397504000 -10.560489000 -5.522103000 0 0 0 # c3
|
|
133 9 5 0.053000 12.053299000 -9.720169000 -5.250118000 0 0 0 # hc
|
|
134 9 5 0.053000 12.029275000 -11.435398000 -5.737741000 0 0 0 # hc
|
|
135 9 5 0.053000 10.802796000 -10.790915000 -4.624592000 0 0 0 # hc
|
|
136 9 6 -0.133000 9.465161000 -11.823378000 -8.154997000 0 0 0 # o_1
|
|
137 10 5 0.053000 12.889411000 -8.809349000 -9.008053000 0 0 0 # hc
|
|
138 10 8 -0.053000 12.617346000 -8.953444000 -7.946761000 0 0 0 # c1
|
|
139 10 7 -0.106000 11.358317000 -9.861743000 -7.993068000 0 0 0 # c2
|
|
140 10 3 0.266000 13.813210000 -9.651723000 -7.309744000 0 0 0 # c_1
|
|
141 10 4 -0.266000 13.878794000 -10.934779000 -7.716185000 0 0 0 # o_2
|
|
142 10 2 -0.026000 14.959498000 -11.682905000 -7.168796000 0 0 0 # c3
|
|
143 10 5 0.053000 14.919297000 -12.707115000 -7.564129000 0 0 0 # hc
|
|
144 10 5 0.053000 14.866795000 -11.707441000 -6.074044000 0 0 0 # hc
|
|
145 10 5 0.053000 11.681983000 -10.834435000 -8.402314000 0 0 0 # hc
|
|
146 10 5 0.053000 10.693673000 -9.457714000 -8.772422000 0 0 0 # hc
|
|
147 10 5 0.053000 15.910415000 -11.213947000 -7.457781000 0 0 0 # hc
|
|
148 10 2 -0.159000 12.527455000 -7.566814000 -7.315882000 0 0 0 # c3
|
|
149 10 5 0.053000 11.733374000 -6.969615000 -7.782074000 0 0 0 # hc
|
|
150 10 5 0.053000 13.478407000 -7.035564000 -7.479820000 0 0 0 # hc
|
|
151 10 5 0.053000 12.347673000 -7.613591000 -6.232621000 0 0 0 # hc
|
|
152 10 6 -0.133000 14.596719000 -9.153044000 -6.549874000 0 0 0 # o_1
|
|
|
|
Bonds
|
|
|
|
1 1 1 3
|
|
2 2 1 2
|
|
3 2 1 12
|
|
4 3 1 18
|
|
5 4 2 7
|
|
6 4 2 9
|
|
7 4 2 10
|
|
8 5 3 4
|
|
9 6 3 16
|
|
10 7 5 4
|
|
11 4 5 6
|
|
12 4 5 8
|
|
13 4 5 11
|
|
14 4 12 13
|
|
15 4 12 14
|
|
16 4 12 15
|
|
17 1 17 19
|
|
18 3 17 18
|
|
19 2 17 27
|
|
20 3 17 33
|
|
21 8 24 18
|
|
22 8 25 18
|
|
23 5 19 20
|
|
24 6 19 31
|
|
25 7 21 20
|
|
26 4 21 22
|
|
27 4 21 23
|
|
28 4 21 26
|
|
29 4 27 28
|
|
30 4 27 29
|
|
31 4 27 30
|
|
32 1 32 34
|
|
33 3 32 33
|
|
34 2 32 42
|
|
35 3 32 48
|
|
36 8 39 33
|
|
37 8 40 33
|
|
38 5 34 35
|
|
39 6 34 46
|
|
40 7 36 35
|
|
41 4 36 37
|
|
42 4 36 38
|
|
43 4 36 41
|
|
44 4 42 43
|
|
45 4 42 44
|
|
46 4 42 45
|
|
47 1 47 49
|
|
48 3 47 48
|
|
49 2 47 57
|
|
50 3 47 63
|
|
51 8 54 48
|
|
52 8 55 48
|
|
53 5 49 50
|
|
54 6 49 61
|
|
55 7 51 50
|
|
56 4 51 52
|
|
57 4 51 53
|
|
58 4 51 56
|
|
59 4 57 58
|
|
60 4 57 59
|
|
61 4 57 60
|
|
62 1 62 64
|
|
63 3 62 63
|
|
64 2 62 72
|
|
65 3 62 78
|
|
66 8 69 63
|
|
67 8 70 63
|
|
68 5 64 65
|
|
69 6 64 76
|
|
70 7 66 65
|
|
71 4 66 67
|
|
72 4 66 68
|
|
73 4 66 71
|
|
74 4 72 73
|
|
75 4 72 74
|
|
76 4 72 75
|
|
77 1 77 79
|
|
78 3 77 78
|
|
79 2 77 87
|
|
80 3 77 93
|
|
81 8 84 78
|
|
82 8 85 78
|
|
83 5 79 80
|
|
84 6 79 91
|
|
85 7 81 80
|
|
86 4 81 82
|
|
87 4 81 83
|
|
88 4 81 86
|
|
89 4 87 88
|
|
90 4 87 89
|
|
91 4 87 90
|
|
92 1 92 94
|
|
93 3 92 93
|
|
94 2 92 102
|
|
95 3 92 108
|
|
96 8 99 93
|
|
97 8 100 93
|
|
98 5 94 95
|
|
99 6 94 106
|
|
100 7 96 95
|
|
101 4 96 97
|
|
102 4 96 98
|
|
103 4 96 101
|
|
104 4 102 103
|
|
105 4 102 104
|
|
106 4 102 105
|
|
107 1 107 109
|
|
108 3 107 108
|
|
109 2 107 117
|
|
110 3 107 123
|
|
111 8 114 108
|
|
112 8 115 108
|
|
113 5 109 110
|
|
114 6 109 121
|
|
115 7 111 110
|
|
116 4 111 112
|
|
117 4 111 113
|
|
118 4 111 116
|
|
119 4 117 118
|
|
120 4 117 119
|
|
121 4 117 120
|
|
122 1 122 124
|
|
123 3 122 123
|
|
124 2 122 132
|
|
125 3 122 139
|
|
126 8 129 123
|
|
127 8 130 123
|
|
128 5 124 125
|
|
129 6 124 136
|
|
130 7 126 125
|
|
131 4 126 127
|
|
132 4 126 128
|
|
133 4 126 131
|
|
134 4 132 133
|
|
135 4 132 134
|
|
136 4 132 135
|
|
137 9 137 138
|
|
138 10 140 138
|
|
139 11 139 138
|
|
140 12 148 138
|
|
141 8 145 139
|
|
142 8 146 139
|
|
143 5 140 141
|
|
144 6 140 152
|
|
145 7 142 141
|
|
146 4 142 143
|
|
147 4 142 144
|
|
148 4 142 147
|
|
149 4 148 149
|
|
150 4 148 150
|
|
151 4 148 151
|
|
|
|
Angles
|
|
|
|
1 1 2 1 3
|
|
2 1 12 1 3
|
|
3 2 3 1 18
|
|
4 3 2 1 12
|
|
5 4 2 1 18
|
|
6 4 12 1 18
|
|
7 5 7 2 9
|
|
8 5 7 2 10
|
|
9 6 1 2 7
|
|
10 5 9 2 10
|
|
11 6 1 2 9
|
|
12 6 1 2 10
|
|
13 7 1 3 4
|
|
14 8 1 3 16
|
|
15 9 4 3 16
|
|
16 10 5 4 3
|
|
17 11 4 5 6
|
|
18 11 4 5 8
|
|
19 11 4 5 11
|
|
20 5 6 5 8
|
|
21 5 6 5 11
|
|
22 5 8 5 11
|
|
23 5 13 12 14
|
|
24 5 13 12 15
|
|
25 6 1 12 13
|
|
26 5 14 12 15
|
|
27 6 1 12 14
|
|
28 6 1 12 15
|
|
29 2 19 17 18
|
|
30 1 27 17 19
|
|
31 2 19 17 33
|
|
32 4 27 17 18
|
|
33 12 18 17 33
|
|
34 4 27 17 33
|
|
35 13 24 18 25
|
|
36 14 17 18 24
|
|
37 14 1 18 24
|
|
38 14 17 18 25
|
|
39 14 1 18 25
|
|
40 15 17 18 1
|
|
41 7 17 19 20
|
|
42 8 17 19 31
|
|
43 9 20 19 31
|
|
44 10 21 20 19
|
|
45 11 20 21 22
|
|
46 11 20 21 23
|
|
47 11 20 21 26
|
|
48 5 22 21 23
|
|
49 5 22 21 26
|
|
50 5 23 21 26
|
|
51 5 28 27 29
|
|
52 5 28 27 30
|
|
53 6 17 27 28
|
|
54 5 29 27 30
|
|
55 6 17 27 29
|
|
56 6 17 27 30
|
|
57 2 34 32 33
|
|
58 1 42 32 34
|
|
59 2 34 32 48
|
|
60 4 42 32 33
|
|
61 12 33 32 48
|
|
62 4 42 32 48
|
|
63 13 39 33 40
|
|
64 14 32 33 39
|
|
65 14 17 33 39
|
|
66 14 32 33 40
|
|
67 14 17 33 40
|
|
68 15 32 33 17
|
|
69 7 32 34 35
|
|
70 8 32 34 46
|
|
71 9 35 34 46
|
|
72 10 36 35 34
|
|
73 11 35 36 37
|
|
74 11 35 36 38
|
|
75 11 35 36 41
|
|
76 5 37 36 38
|
|
77 5 37 36 41
|
|
78 5 38 36 41
|
|
79 5 43 42 44
|
|
80 5 43 42 45
|
|
81 6 32 42 43
|
|
82 5 44 42 45
|
|
83 6 32 42 44
|
|
84 6 32 42 45
|
|
85 2 49 47 48
|
|
86 1 57 47 49
|
|
87 2 49 47 63
|
|
88 4 57 47 48
|
|
89 12 48 47 63
|
|
90 4 57 47 63
|
|
91 13 54 48 55
|
|
92 14 47 48 54
|
|
93 14 32 48 54
|
|
94 14 47 48 55
|
|
95 14 32 48 55
|
|
96 15 47 48 32
|
|
97 7 47 49 50
|
|
98 8 47 49 61
|
|
99 9 50 49 61
|
|
100 10 51 50 49
|
|
101 11 50 51 52
|
|
102 11 50 51 53
|
|
103 11 50 51 56
|
|
104 5 52 51 53
|
|
105 5 52 51 56
|
|
106 5 53 51 56
|
|
107 5 58 57 59
|
|
108 5 58 57 60
|
|
109 6 47 57 58
|
|
110 5 59 57 60
|
|
111 6 47 57 59
|
|
112 6 47 57 60
|
|
113 2 64 62 63
|
|
114 1 72 62 64
|
|
115 2 64 62 78
|
|
116 4 72 62 63
|
|
117 12 63 62 78
|
|
118 4 72 62 78
|
|
119 13 69 63 70
|
|
120 14 62 63 69
|
|
121 14 47 63 69
|
|
122 14 62 63 70
|
|
123 14 47 63 70
|
|
124 15 62 63 47
|
|
125 7 62 64 65
|
|
126 8 62 64 76
|
|
127 9 65 64 76
|
|
128 10 66 65 64
|
|
129 11 65 66 67
|
|
130 11 65 66 68
|
|
131 11 65 66 71
|
|
132 5 67 66 68
|
|
133 5 67 66 71
|
|
134 5 68 66 71
|
|
135 5 73 72 74
|
|
136 5 73 72 75
|
|
137 6 62 72 73
|
|
138 5 74 72 75
|
|
139 6 62 72 74
|
|
140 6 62 72 75
|
|
141 2 79 77 78
|
|
142 1 87 77 79
|
|
143 2 79 77 93
|
|
144 4 87 77 78
|
|
145 12 78 77 93
|
|
146 4 87 77 93
|
|
147 13 84 78 85
|
|
148 14 77 78 84
|
|
149 14 62 78 84
|
|
150 14 77 78 85
|
|
151 14 62 78 85
|
|
152 15 77 78 62
|
|
153 7 77 79 80
|
|
154 8 77 79 91
|
|
155 9 80 79 91
|
|
156 10 81 80 79
|
|
157 11 80 81 82
|
|
158 11 80 81 83
|
|
159 11 80 81 86
|
|
160 5 82 81 83
|
|
161 5 82 81 86
|
|
162 5 83 81 86
|
|
163 5 88 87 89
|
|
164 5 88 87 90
|
|
165 6 77 87 88
|
|
166 5 89 87 90
|
|
167 6 77 87 89
|
|
168 6 77 87 90
|
|
169 2 94 92 93
|
|
170 1 102 92 94
|
|
171 2 94 92 108
|
|
172 4 102 92 93
|
|
173 12 93 92 108
|
|
174 4 102 92 108
|
|
175 13 99 93 100
|
|
176 14 92 93 99
|
|
177 14 77 93 99
|
|
178 14 92 93 100
|
|
179 14 77 93 100
|
|
180 15 92 93 77
|
|
181 7 92 94 95
|
|
182 8 92 94 106
|
|
183 9 95 94 106
|
|
184 10 96 95 94
|
|
185 11 95 96 97
|
|
186 11 95 96 98
|
|
187 11 95 96 101
|
|
188 5 97 96 98
|
|
189 5 97 96 101
|
|
190 5 98 96 101
|
|
191 5 103 102 104
|
|
192 5 103 102 105
|
|
193 6 92 102 103
|
|
194 5 104 102 105
|
|
195 6 92 102 104
|
|
196 6 92 102 105
|
|
197 2 109 107 108
|
|
198 1 117 107 109
|
|
199 2 109 107 123
|
|
200 4 117 107 108
|
|
201 12 108 107 123
|
|
202 4 117 107 123
|
|
203 13 114 108 115
|
|
204 14 107 108 114
|
|
205 14 92 108 114
|
|
206 14 107 108 115
|
|
207 14 92 108 115
|
|
208 15 107 108 92
|
|
209 7 107 109 110
|
|
210 8 107 109 121
|
|
211 9 110 109 121
|
|
212 10 111 110 109
|
|
213 11 110 111 112
|
|
214 11 110 111 113
|
|
215 11 110 111 116
|
|
216 5 112 111 113
|
|
217 5 112 111 116
|
|
218 5 113 111 116
|
|
219 5 118 117 119
|
|
220 5 118 117 120
|
|
221 6 107 117 118
|
|
222 5 119 117 120
|
|
223 6 107 117 119
|
|
224 6 107 117 120
|
|
225 2 124 122 123
|
|
226 1 132 122 124
|
|
227 2 124 122 139
|
|
228 4 132 122 123
|
|
229 12 123 122 139
|
|
230 4 132 122 139
|
|
231 13 129 123 130
|
|
232 14 122 123 129
|
|
233 14 107 123 129
|
|
234 14 122 123 130
|
|
235 14 107 123 130
|
|
236 15 122 123 107
|
|
237 7 122 124 125
|
|
238 8 122 124 136
|
|
239 9 125 124 136
|
|
240 10 126 125 124
|
|
241 11 125 126 127
|
|
242 11 125 126 128
|
|
243 11 125 126 131
|
|
244 5 127 126 128
|
|
245 5 127 126 131
|
|
246 5 128 126 131
|
|
247 5 133 132 134
|
|
248 5 133 132 135
|
|
249 6 122 132 133
|
|
250 5 134 132 135
|
|
251 6 122 132 134
|
|
252 6 122 132 135
|
|
253 16 140 138 137
|
|
254 17 137 138 139
|
|
255 18 148 138 137
|
|
256 19 140 138 139
|
|
257 20 148 138 140
|
|
258 21 148 138 139
|
|
259 13 145 139 146
|
|
260 22 145 139 138
|
|
261 14 122 139 145
|
|
262 22 146 139 138
|
|
263 14 122 139 146
|
|
264 23 122 139 138
|
|
265 24 141 140 138
|
|
266 25 152 140 138
|
|
267 9 141 140 152
|
|
268 10 142 141 140
|
|
269 11 141 142 143
|
|
270 11 141 142 144
|
|
271 11 141 142 147
|
|
272 5 143 142 144
|
|
273 5 143 142 147
|
|
274 5 144 142 147
|
|
275 5 149 148 150
|
|
276 5 149 148 151
|
|
277 26 149 148 138
|
|
278 5 150 148 151
|
|
279 26 150 148 138
|
|
280 26 151 148 138
|
|
|
|
Dihedrals
|
|
|
|
1 1 2 1 3 4
|
|
2 2 2 1 3 16
|
|
3 1 12 1 3 4
|
|
4 2 12 1 3 16
|
|
5 3 18 1 3 4
|
|
6 4 18 1 3 16
|
|
7 5 3 1 2 7
|
|
8 5 3 1 2 9
|
|
9 5 3 1 2 10
|
|
10 6 12 1 2 7
|
|
11 6 12 1 2 9
|
|
12 6 12 1 2 10
|
|
13 7 18 1 2 7
|
|
14 7 18 1 2 9
|
|
15 7 18 1 2 10
|
|
16 5 3 1 12 13
|
|
17 5 3 1 12 14
|
|
18 5 3 1 12 15
|
|
19 6 2 1 12 13
|
|
20 6 2 1 12 14
|
|
21 6 2 1 12 15
|
|
22 7 18 1 12 13
|
|
23 7 18 1 12 14
|
|
24 7 18 1 12 15
|
|
25 8 3 1 18 24
|
|
26 8 3 1 18 25
|
|
27 9 3 1 18 17
|
|
28 10 2 1 18 24
|
|
29 10 2 1 18 25
|
|
30 11 2 1 18 17
|
|
31 10 12 1 18 24
|
|
32 10 12 1 18 25
|
|
33 11 12 1 18 17
|
|
34 12 1 3 4 5
|
|
35 13 16 3 4 5
|
|
36 14 6 5 4 3
|
|
37 14 8 5 4 3
|
|
38 14 11 5 4 3
|
|
39 3 18 17 19 20
|
|
40 4 18 17 19 31
|
|
41 1 27 17 19 20
|
|
42 2 27 17 19 31
|
|
43 3 33 17 19 20
|
|
44 4 33 17 19 31
|
|
45 8 19 17 18 24
|
|
46 8 19 17 18 25
|
|
47 9 19 17 18 1
|
|
48 10 27 17 18 24
|
|
49 10 27 17 18 25
|
|
50 11 27 17 18 1
|
|
51 15 33 17 18 24
|
|
52 15 33 17 18 25
|
|
53 16 33 17 18 1
|
|
54 5 19 17 27 28
|
|
55 5 19 17 27 29
|
|
56 5 19 17 27 30
|
|
57 7 18 17 27 28
|
|
58 7 18 17 27 29
|
|
59 7 18 17 27 30
|
|
60 7 33 17 27 28
|
|
61 7 33 17 27 29
|
|
62 7 33 17 27 30
|
|
63 8 19 17 33 39
|
|
64 8 19 17 33 40
|
|
65 9 19 17 33 32
|
|
66 15 18 17 33 39
|
|
67 15 18 17 33 40
|
|
68 16 18 17 33 32
|
|
69 10 27 17 33 39
|
|
70 10 27 17 33 40
|
|
71 11 27 17 33 32
|
|
72 12 17 19 20 21
|
|
73 13 31 19 20 21
|
|
74 14 22 21 20 19
|
|
75 14 23 21 20 19
|
|
76 14 26 21 20 19
|
|
77 3 33 32 34 35
|
|
78 4 33 32 34 46
|
|
79 1 42 32 34 35
|
|
80 2 42 32 34 46
|
|
81 3 48 32 34 35
|
|
82 4 48 32 34 46
|
|
83 8 34 32 33 39
|
|
84 8 34 32 33 40
|
|
85 9 34 32 33 17
|
|
86 10 42 32 33 39
|
|
87 10 42 32 33 40
|
|
88 11 42 32 33 17
|
|
89 15 48 32 33 39
|
|
90 15 48 32 33 40
|
|
91 16 48 32 33 17
|
|
92 5 34 32 42 43
|
|
93 5 34 32 42 44
|
|
94 5 34 32 42 45
|
|
95 7 33 32 42 43
|
|
96 7 33 32 42 44
|
|
97 7 33 32 42 45
|
|
98 7 48 32 42 43
|
|
99 7 48 32 42 44
|
|
100 7 48 32 42 45
|
|
101 8 34 32 48 54
|
|
102 8 34 32 48 55
|
|
103 9 34 32 48 47
|
|
104 15 33 32 48 54
|
|
105 15 33 32 48 55
|
|
106 16 33 32 48 47
|
|
107 10 42 32 48 54
|
|
108 10 42 32 48 55
|
|
109 11 42 32 48 47
|
|
110 12 32 34 35 36
|
|
111 13 46 34 35 36
|
|
112 14 37 36 35 34
|
|
113 14 38 36 35 34
|
|
114 14 41 36 35 34
|
|
115 3 48 47 49 50
|
|
116 4 48 47 49 61
|
|
117 1 57 47 49 50
|
|
118 2 57 47 49 61
|
|
119 3 63 47 49 50
|
|
120 4 63 47 49 61
|
|
121 8 49 47 48 54
|
|
122 8 49 47 48 55
|
|
123 9 49 47 48 32
|
|
124 10 57 47 48 54
|
|
125 10 57 47 48 55
|
|
126 11 57 47 48 32
|
|
127 15 63 47 48 54
|
|
128 15 63 47 48 55
|
|
129 16 63 47 48 32
|
|
130 5 49 47 57 58
|
|
131 5 49 47 57 59
|
|
132 5 49 47 57 60
|
|
133 7 48 47 57 58
|
|
134 7 48 47 57 59
|
|
135 7 48 47 57 60
|
|
136 7 63 47 57 58
|
|
137 7 63 47 57 59
|
|
138 7 63 47 57 60
|
|
139 8 49 47 63 69
|
|
140 8 49 47 63 70
|
|
141 9 49 47 63 62
|
|
142 15 48 47 63 69
|
|
143 15 48 47 63 70
|
|
144 16 48 47 63 62
|
|
145 10 57 47 63 69
|
|
146 10 57 47 63 70
|
|
147 11 57 47 63 62
|
|
148 12 47 49 50 51
|
|
149 13 61 49 50 51
|
|
150 14 52 51 50 49
|
|
151 14 53 51 50 49
|
|
152 14 56 51 50 49
|
|
153 3 63 62 64 65
|
|
154 4 63 62 64 76
|
|
155 1 72 62 64 65
|
|
156 2 72 62 64 76
|
|
157 3 78 62 64 65
|
|
158 4 78 62 64 76
|
|
159 8 64 62 63 69
|
|
160 8 64 62 63 70
|
|
161 9 64 62 63 47
|
|
162 10 72 62 63 69
|
|
163 10 72 62 63 70
|
|
164 11 72 62 63 47
|
|
165 15 78 62 63 69
|
|
166 15 78 62 63 70
|
|
167 16 78 62 63 47
|
|
168 5 64 62 72 73
|
|
169 5 64 62 72 74
|
|
170 5 64 62 72 75
|
|
171 7 63 62 72 73
|
|
172 7 63 62 72 74
|
|
173 7 63 62 72 75
|
|
174 7 78 62 72 73
|
|
175 7 78 62 72 74
|
|
176 7 78 62 72 75
|
|
177 8 64 62 78 84
|
|
178 8 64 62 78 85
|
|
179 9 64 62 78 77
|
|
180 15 63 62 78 84
|
|
181 15 63 62 78 85
|
|
182 16 63 62 78 77
|
|
183 10 72 62 78 84
|
|
184 10 72 62 78 85
|
|
185 11 72 62 78 77
|
|
186 12 62 64 65 66
|
|
187 13 76 64 65 66
|
|
188 14 67 66 65 64
|
|
189 14 68 66 65 64
|
|
190 14 71 66 65 64
|
|
191 3 78 77 79 80
|
|
192 4 78 77 79 91
|
|
193 1 87 77 79 80
|
|
194 2 87 77 79 91
|
|
195 3 93 77 79 80
|
|
196 4 93 77 79 91
|
|
197 8 79 77 78 84
|
|
198 8 79 77 78 85
|
|
199 9 79 77 78 62
|
|
200 10 87 77 78 84
|
|
201 10 87 77 78 85
|
|
202 11 87 77 78 62
|
|
203 15 93 77 78 84
|
|
204 15 93 77 78 85
|
|
205 16 93 77 78 62
|
|
206 5 79 77 87 88
|
|
207 5 79 77 87 89
|
|
208 5 79 77 87 90
|
|
209 7 78 77 87 88
|
|
210 7 78 77 87 89
|
|
211 7 78 77 87 90
|
|
212 7 93 77 87 88
|
|
213 7 93 77 87 89
|
|
214 7 93 77 87 90
|
|
215 8 79 77 93 99
|
|
216 8 79 77 93 100
|
|
217 9 79 77 93 92
|
|
218 15 78 77 93 99
|
|
219 15 78 77 93 100
|
|
220 16 78 77 93 92
|
|
221 10 87 77 93 99
|
|
222 10 87 77 93 100
|
|
223 11 87 77 93 92
|
|
224 12 77 79 80 81
|
|
225 13 91 79 80 81
|
|
226 14 82 81 80 79
|
|
227 14 83 81 80 79
|
|
228 14 86 81 80 79
|
|
229 3 93 92 94 95
|
|
230 4 93 92 94 106
|
|
231 1 102 92 94 95
|
|
232 2 102 92 94 106
|
|
233 3 108 92 94 95
|
|
234 4 108 92 94 106
|
|
235 8 94 92 93 99
|
|
236 8 94 92 93 100
|
|
237 9 94 92 93 77
|
|
238 10 102 92 93 99
|
|
239 10 102 92 93 100
|
|
240 11 102 92 93 77
|
|
241 15 108 92 93 99
|
|
242 15 108 92 93 100
|
|
243 16 108 92 93 77
|
|
244 5 94 92 102 103
|
|
245 5 94 92 102 104
|
|
246 5 94 92 102 105
|
|
247 7 93 92 102 103
|
|
248 7 93 92 102 104
|
|
249 7 93 92 102 105
|
|
250 7 108 92 102 103
|
|
251 7 108 92 102 104
|
|
252 7 108 92 102 105
|
|
253 8 94 92 108 114
|
|
254 8 94 92 108 115
|
|
255 9 94 92 108 107
|
|
256 15 93 92 108 114
|
|
257 15 93 92 108 115
|
|
258 16 93 92 108 107
|
|
259 10 102 92 108 114
|
|
260 10 102 92 108 115
|
|
261 11 102 92 108 107
|
|
262 12 92 94 95 96
|
|
263 13 106 94 95 96
|
|
264 14 97 96 95 94
|
|
265 14 98 96 95 94
|
|
266 14 101 96 95 94
|
|
267 3 108 107 109 110
|
|
268 4 108 107 109 121
|
|
269 1 117 107 109 110
|
|
270 2 117 107 109 121
|
|
271 3 123 107 109 110
|
|
272 4 123 107 109 121
|
|
273 8 109 107 108 114
|
|
274 8 109 107 108 115
|
|
275 9 109 107 108 92
|
|
276 10 117 107 108 114
|
|
277 10 117 107 108 115
|
|
278 11 117 107 108 92
|
|
279 15 123 107 108 114
|
|
280 15 123 107 108 115
|
|
281 16 123 107 108 92
|
|
282 5 109 107 117 118
|
|
283 5 109 107 117 119
|
|
284 5 109 107 117 120
|
|
285 7 108 107 117 118
|
|
286 7 108 107 117 119
|
|
287 7 108 107 117 120
|
|
288 7 123 107 117 118
|
|
289 7 123 107 117 119
|
|
290 7 123 107 117 120
|
|
291 8 109 107 123 129
|
|
292 8 109 107 123 130
|
|
293 9 109 107 123 122
|
|
294 15 108 107 123 129
|
|
295 15 108 107 123 130
|
|
296 16 108 107 123 122
|
|
297 10 117 107 123 129
|
|
298 10 117 107 123 130
|
|
299 11 117 107 123 122
|
|
300 12 107 109 110 111
|
|
301 13 121 109 110 111
|
|
302 14 112 111 110 109
|
|
303 14 113 111 110 109
|
|
304 14 116 111 110 109
|
|
305 3 123 122 124 125
|
|
306 4 123 122 124 136
|
|
307 1 132 122 124 125
|
|
308 2 132 122 124 136
|
|
309 3 139 122 124 125
|
|
310 4 139 122 124 136
|
|
311 8 124 122 123 129
|
|
312 8 124 122 123 130
|
|
313 9 124 122 123 107
|
|
314 10 132 122 123 129
|
|
315 10 132 122 123 130
|
|
316 11 132 122 123 107
|
|
317 15 139 122 123 129
|
|
318 15 139 122 123 130
|
|
319 16 139 122 123 107
|
|
320 5 124 122 132 133
|
|
321 5 124 122 132 134
|
|
322 5 124 122 132 135
|
|
323 7 123 122 132 133
|
|
324 7 123 122 132 134
|
|
325 7 123 122 132 135
|
|
326 7 139 122 132 133
|
|
327 7 139 122 132 134
|
|
328 7 139 122 132 135
|
|
329 8 124 122 139 145
|
|
330 8 124 122 139 146
|
|
331 17 124 122 139 138
|
|
332 15 123 122 139 145
|
|
333 15 123 122 139 146
|
|
334 18 123 122 139 138
|
|
335 10 132 122 139 145
|
|
336 10 132 122 139 146
|
|
337 19 132 122 139 138
|
|
338 12 122 124 125 126
|
|
339 13 136 124 125 126
|
|
340 14 127 126 125 124
|
|
341 14 128 126 125 124
|
|
342 14 131 126 125 124
|
|
343 20 141 140 138 137
|
|
344 21 152 140 138 137
|
|
345 22 141 140 138 139
|
|
346 23 152 140 138 139
|
|
347 24 141 140 138 148
|
|
348 25 152 140 138 148
|
|
349 26 145 139 138 137
|
|
350 26 146 139 138 137
|
|
351 27 122 139 138 137
|
|
352 28 145 139 138 140
|
|
353 28 146 139 138 140
|
|
354 29 122 139 138 140
|
|
355 30 145 139 138 148
|
|
356 30 146 139 138 148
|
|
357 31 122 139 138 148
|
|
358 32 149 148 138 137
|
|
359 32 150 148 138 137
|
|
360 32 151 148 138 137
|
|
361 33 149 148 138 140
|
|
362 33 150 148 138 140
|
|
363 33 151 148 138 140
|
|
364 34 149 148 138 139
|
|
365 34 150 148 138 139
|
|
366 34 151 148 138 139
|
|
367 35 138 140 141 142
|
|
368 13 152 140 141 142
|
|
369 14 143 142 141 140
|
|
370 14 144 142 141 140
|
|
371 14 147 142 141 140
|
|
|
|
Impropers
|
|
|
|
1 1 1 3 4 16
|
|
2 1 17 19 20 31
|
|
3 1 32 34 35 46
|
|
4 1 47 49 50 61
|
|
5 1 62 64 65 76
|
|
6 1 77 79 80 91
|
|
7 1 92 94 95 106
|
|
8 1 107 109 110 121
|
|
9 1 122 124 125 136
|
|
10 2 141 140 152 138
|
|
11 3 2 1 12 3
|
|
12 4 2 1 3 18
|
|
13 4 12 1 3 18
|
|
14 5 2 1 12 18
|
|
15 6 7 2 9 10
|
|
16 7 1 2 9 7
|
|
17 7 1 2 10 7
|
|
18 7 1 2 10 9
|
|
19 8 4 5 6 8
|
|
20 8 4 5 6 11
|
|
21 8 4 5 8 11
|
|
22 6 6 5 8 11
|
|
23 6 13 12 14 15
|
|
24 7 1 12 14 13
|
|
25 7 1 12 15 13
|
|
26 7 1 12 15 14
|
|
27 4 27 17 19 18
|
|
28 9 19 17 18 33
|
|
29 4 27 17 19 33
|
|
30 10 27 17 18 33
|
|
31 11 17 18 25 24
|
|
32 11 1 18 25 24
|
|
33 12 17 18 1 24
|
|
34 12 17 18 1 25
|
|
35 8 20 21 22 23
|
|
36 8 20 21 22 26
|
|
37 8 20 21 23 26
|
|
38 6 22 21 23 26
|
|
39 6 28 27 29 30
|
|
40 7 17 27 29 28
|
|
41 7 17 27 30 28
|
|
42 7 17 27 30 29
|
|
43 4 42 32 34 33
|
|
44 9 34 32 33 48
|
|
45 4 42 32 34 48
|
|
46 10 42 32 33 48
|
|
47 11 32 33 40 39
|
|
48 11 17 33 40 39
|
|
49 12 32 33 17 39
|
|
50 12 32 33 17 40
|
|
51 8 35 36 37 38
|
|
52 8 35 36 37 41
|
|
53 8 35 36 38 41
|
|
54 6 37 36 38 41
|
|
55 6 43 42 44 45
|
|
56 7 32 42 44 43
|
|
57 7 32 42 45 43
|
|
58 7 32 42 45 44
|
|
59 4 57 47 49 48
|
|
60 9 49 47 48 63
|
|
61 4 57 47 49 63
|
|
62 10 57 47 48 63
|
|
63 11 47 48 55 54
|
|
64 11 32 48 55 54
|
|
65 12 47 48 32 54
|
|
66 12 47 48 32 55
|
|
67 8 50 51 52 53
|
|
68 8 50 51 52 56
|
|
69 8 50 51 53 56
|
|
70 6 52 51 53 56
|
|
71 6 58 57 59 60
|
|
72 7 47 57 59 58
|
|
73 7 47 57 60 58
|
|
74 7 47 57 60 59
|
|
75 4 72 62 64 63
|
|
76 9 64 62 63 78
|
|
77 4 72 62 64 78
|
|
78 10 72 62 63 78
|
|
79 11 62 63 70 69
|
|
80 11 47 63 70 69
|
|
81 12 62 63 47 69
|
|
82 12 62 63 47 70
|
|
83 8 65 66 67 68
|
|
84 8 65 66 67 71
|
|
85 8 65 66 68 71
|
|
86 6 67 66 68 71
|
|
87 6 73 72 74 75
|
|
88 7 62 72 74 73
|
|
89 7 62 72 75 73
|
|
90 7 62 72 75 74
|
|
91 4 87 77 79 78
|
|
92 9 79 77 78 93
|
|
93 4 87 77 79 93
|
|
94 10 87 77 78 93
|
|
95 11 77 78 85 84
|
|
96 11 62 78 85 84
|
|
97 12 77 78 62 84
|
|
98 12 77 78 62 85
|
|
99 8 80 81 82 83
|
|
100 8 80 81 82 86
|
|
101 8 80 81 83 86
|
|
102 6 82 81 83 86
|
|
103 6 88 87 89 90
|
|
104 7 77 87 89 88
|
|
105 7 77 87 90 88
|
|
106 7 77 87 90 89
|
|
107 4 102 92 94 93
|
|
108 9 94 92 93 108
|
|
109 4 102 92 94 108
|
|
110 10 102 92 93 108
|
|
111 11 92 93 100 99
|
|
112 11 77 93 100 99
|
|
113 12 92 93 77 99
|
|
114 12 92 93 77 100
|
|
115 8 95 96 97 98
|
|
116 8 95 96 97 101
|
|
117 8 95 96 98 101
|
|
118 6 97 96 98 101
|
|
119 6 103 102 104 105
|
|
120 7 92 102 104 103
|
|
121 7 92 102 105 103
|
|
122 7 92 102 105 104
|
|
123 4 117 107 109 108
|
|
124 9 109 107 108 123
|
|
125 4 117 107 109 123
|
|
126 10 117 107 108 123
|
|
127 11 107 108 115 114
|
|
128 11 92 108 115 114
|
|
129 12 107 108 92 114
|
|
130 12 107 108 92 115
|
|
131 8 110 111 112 113
|
|
132 8 110 111 112 116
|
|
133 8 110 111 113 116
|
|
134 6 112 111 113 116
|
|
135 6 118 117 119 120
|
|
136 7 107 117 119 118
|
|
137 7 107 117 120 118
|
|
138 7 107 117 120 119
|
|
139 4 132 122 124 123
|
|
140 9 124 122 123 139
|
|
141 4 132 122 124 139
|
|
142 10 132 122 123 139
|
|
143 11 122 123 130 129
|
|
144 11 107 123 130 129
|
|
145 12 122 123 107 129
|
|
146 12 122 123 107 130
|
|
147 8 125 126 127 128
|
|
148 8 125 126 127 131
|
|
149 8 125 126 128 131
|
|
150 6 127 126 128 131
|
|
151 6 133 132 134 135
|
|
152 7 122 132 134 133
|
|
153 7 122 132 135 133
|
|
154 7 122 132 135 134
|
|
155 13 140 138 137 139
|
|
156 14 148 138 140 137
|
|
157 15 148 138 137 139
|
|
158 16 148 138 140 139
|
|
159 17 145 139 146 138
|
|
160 11 122 139 146 145
|
|
161 18 122 139 145 138
|
|
162 18 122 139 146 138
|
|
163 8 141 142 143 144
|
|
164 8 141 142 143 147
|
|
165 8 141 142 144 147
|
|
166 6 143 142 144 147
|
|
167 6 149 148 150 151
|
|
168 19 149 148 150 138
|
|
169 19 149 148 151 138
|
|
170 19 150 148 151 138
|
|
|