rxn2_stp2_post 42 atoms 41 bonds 73 angles 102 dihedrals 43 impropers Types 1 1 2 2 3 1 4 7 5 4 6 7 7 8 8 8 9 8 10 8 11 8 12 9 13 1 14 1 15 9 16 9 17 1 18 1 19 10 20 8 21 8 22 8 23 8 24 11 25 11 26 10 27 10 28 8 29 8 30 8 31 8 32 1 33 6 34 1 35 7 36 4 37 7 38 8 39 8 40 8 41 8 42 8 Charges 1 0.000000 2 0.000000 3 0.000000 4 0.100000 5 0.000000 6 0.000000 7 0.000000 8 0.000000 9 0.000000 10 0.000000 11 0.000000 12 0.000000 13 0.000000 14 0.000000 15 -0.025000 16 -0.025000 17 0.000000 18 0.000000 19 0.000000 20 0.000000 21 0.000000 22 0.000000 23 0.000000 24 0.000000 25 0.000000 26 0.000000 27 0.000000 28 0.000000 29 0.000000 30 0.000000 31 0.000000 32 0.000000 33 0.000000 34 0.000000 35 0.100000 36 0.000000 37 0.000000 38 0.000000 39 0.000000 40 0.000000 41 0.000000 42 0.000000 Coords 1 19.846411 9.569080 -1.229960 2 21.168550 9.331390 -0.418120 3 21.253010 8.067940 0.460720 4 21.330839 10.304280 -0.253340 5 21.891689 5.906200 0.464150 6 21.818470 6.999870 -0.296270 7 19.931601 10.026600 -2.215510 8 19.051279 8.828540 -1.132880 9 22.228800 9.293580 -0.665280 10 21.880541 8.270810 1.328060 11 20.253151 7.789050 0.792640 12 16.072720 12.338940 -0.174630 13 16.557051 11.130580 0.587500 14 18.074381 10.998730 0.366590 15 18.354031 10.832100 -1.107140 16 14.920880 15.018100 -0.201130 17 16.390551 14.791140 -0.461060 18 16.852989 13.538490 0.304530 19 16.264271 12.190330 -1.257620 20 16.025061 10.195290 0.210910 21 16.346741 11.269890 1.698950 22 18.466690 10.092460 0.935470 23 18.592319 11.941150 0.745170 24 16.017490 9.805710 -4.329880 25 20.881861 11.302060 -0.773030 26 14.344180 14.136430 -0.550280 27 14.583670 15.922830 -0.748110 28 16.984310 15.696060 -0.103470 29 16.562460 14.639560 -1.577590 30 16.674610 13.686010 1.420370 31 17.964001 13.363150 0.117750 32 18.680189 9.134390 -4.183100 33 18.099751 8.263650 -5.343000 34 19.081829 7.609610 -6.334180 35 17.971729 9.827680 -5.367080 36 20.263880 5.733600 -6.736780 37 19.414030 6.299980 -5.878960 38 18.194740 9.091640 -3.210950 39 19.788940 9.208560 -4.119640 40 17.399309 7.432220 -5.407800 41 18.616249 7.545570 -7.316910 42 19.987049 8.212500 -6.399400 Bonds 1 1 1 8 2 2 1 2 3 1 1 7 4 13 1 15 5 2 3 2 6 6 2 9 7 19 2 4 8 3 3 6 9 1 3 10 10 1 3 11 11 18 4 25 12 8 6 5 13 13 13 12 14 13 18 12 15 14 12 19 16 15 13 14 17 1 13 20 18 1 13 21 19 13 14 15 20 1 14 22 21 1 14 23 22 13 32 15 23 13 17 16 24 14 16 26 25 14 16 27 26 15 17 18 27 1 17 28 28 1 17 29 29 1 18 30 30 1 18 31 31 18 35 24 32 1 32 39 33 16 32 33 34 1 32 38 35 17 35 33 36 16 34 33 37 12 40 33 38 3 34 37 39 1 34 41 40 1 34 42 41 8 37 36 Angles 1 1 2 1 8 2 2 8 1 7 3 26 8 1 15 4 1 2 1 7 5 42 2 1 15 6 26 7 1 15 7 43 1 2 3 8 7 1 2 9 9 44 1 2 4 10 7 3 2 9 11 44 3 2 4 12 45 4 2 9 13 4 2 3 6 14 1 2 3 10 15 1 2 3 11 16 3 6 3 10 17 3 6 3 11 18 2 10 3 11 19 46 2 4 25 20 22 3 6 5 21 23 13 12 18 22 24 13 12 19 23 24 18 12 19 24 25 14 13 12 25 26 20 13 12 26 26 21 13 12 27 27 14 13 20 28 27 14 13 21 29 2 20 13 21 30 25 13 14 15 31 27 13 14 22 32 27 13 14 23 33 26 22 14 15 34 26 23 14 15 35 2 22 14 23 36 23 1 15 14 37 23 1 15 32 38 23 14 15 32 39 24 17 16 26 40 24 17 16 27 41 28 26 16 27 42 25 18 17 16 43 26 28 17 16 44 26 29 17 16 45 27 18 17 28 46 27 18 17 29 47 2 28 17 29 48 25 17 18 12 49 26 30 18 12 50 26 31 18 12 51 27 17 18 30 52 27 17 18 31 53 2 30 18 31 54 26 39 32 15 55 47 15 32 33 56 26 38 32 15 57 48 39 32 33 58 2 39 32 38 59 48 38 32 33 60 34 32 33 35 61 32 32 33 34 62 33 32 33 40 63 34 34 33 35 64 35 35 33 40 65 33 34 33 40 66 49 37 34 33 67 48 41 34 33 68 48 42 34 33 69 3 37 34 41 70 3 37 34 42 71 2 41 34 42 72 50 24 35 33 73 22 34 37 36 Dihedrals 1 55 8 1 2 3 2 3 8 1 2 9 3 56 8 1 2 4 4 55 7 1 2 3 5 3 7 1 2 9 6 56 7 1 2 4 7 57 15 1 2 3 8 58 15 1 2 9 9 59 15 1 2 4 10 28 8 1 15 14 11 28 8 1 15 32 12 60 2 1 15 14 13 60 2 1 15 32 14 28 7 1 15 14 15 28 7 1 15 32 16 61 6 3 2 1 17 55 10 3 2 1 18 55 11 3 2 1 19 6 6 3 2 9 20 3 10 3 2 9 21 3 11 3 2 9 22 62 6 3 2 4 23 56 10 3 2 4 24 56 11 3 2 4 25 63 1 2 4 25 26 63 3 2 4 25 27 64 9 2 4 25 28 8 2 3 6 5 29 7 10 3 6 5 30 7 11 3 6 5 31 27 14 13 12 18 32 28 20 13 12 18 33 28 21 13 12 18 34 29 14 13 12 19 35 30 20 13 12 19 36 30 21 13 12 19 37 27 17 18 12 13 38 28 30 18 12 13 39 28 31 18 12 13 40 29 17 18 12 19 41 30 30 18 12 19 42 30 31 18 12 19 43 31 12 13 14 15 44 32 22 14 13 12 45 32 23 14 13 12 46 32 20 13 14 15 47 33 20 13 14 22 48 33 20 13 14 23 49 32 21 13 14 15 50 33 21 13 14 22 51 33 21 13 14 23 52 27 13 14 15 1 53 27 13 14 15 32 54 28 22 14 15 1 55 28 22 14 15 32 56 28 23 14 15 1 57 28 23 14 15 32 58 28 39 32 15 1 59 46 33 32 15 1 60 28 38 32 15 1 61 28 39 32 15 14 62 46 33 32 15 14 63 28 38 32 15 14 64 29 18 17 16 26 65 30 28 17 16 26 66 30 29 17 16 26 67 29 18 17 16 27 68 30 28 17 16 27 69 30 29 17 16 27 70 31 16 17 18 12 71 32 30 18 17 16 72 32 31 18 17 16 73 32 28 17 18 12 74 33 28 17 18 30 75 33 28 17 18 31 76 32 29 17 18 12 77 33 29 17 18 30 78 33 29 17 18 31 79 45 15 32 33 35 80 43 15 32 33 34 81 44 15 32 33 40 82 42 39 32 33 35 83 40 39 32 33 34 84 41 39 32 33 40 85 42 38 32 33 35 86 40 38 32 33 34 87 41 38 32 33 40 88 65 24 35 33 32 89 65 24 35 33 34 90 66 24 35 33 40 91 48 37 34 33 32 92 40 41 34 33 32 93 40 42 34 33 32 94 50 37 34 33 35 95 42 41 34 33 35 96 42 42 34 33 35 97 49 37 34 33 40 98 41 41 34 33 40 99 41 42 34 33 40 100 51 33 34 37 36 101 7 41 34 37 36 102 7 42 34 37 36 Impropers 1 4 13 12 18 19 2 22 1 15 14 32 3 5 17 16 26 27 4 1 2 1 8 7 5 1 2 1 8 15 6 1 8 1 7 15 7 1 2 1 7 15 8 1 1 2 3 9 9 1 1 2 3 4 10 1 1 2 4 9 11 1 3 2 4 9 12 1 2 3 6 10 13 1 2 3 6 11 14 1 2 3 10 11 15 1 6 3 10 11 16 1 14 13 20 12 17 1 14 13 21 12 18 1 20 13 21 12 19 1 14 13 20 21 20 1 13 14 22 15 21 1 13 14 23 15 22 1 13 14 22 23 23 1 22 14 23 15 24 1 18 17 28 16 25 1 18 17 29 16 26 1 28 17 29 16 27 1 18 17 28 29 28 1 17 18 30 12 29 1 17 18 31 12 30 1 30 18 31 12 31 1 17 18 30 31 32 1 39 32 15 33 33 1 39 32 38 15 34 1 38 32 15 33 35 1 39 32 38 33 36 1 32 33 34 35 37 1 32 33 35 40 38 1 32 33 34 40 39 1 34 33 35 40 40 1 37 34 41 33 41 1 37 34 42 33 42 1 41 34 42 33 43 1 37 34 41 42