rxn1_stp2_post

31 atoms           
30 bonds           
53 angles           
72 dihedrals           
31 impropers           

Types

1 1
2 6
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 10
25 11
26 10
27 10
28 8
29 8
30 8
31 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

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 17.213690 10.780300 -1.896260
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

Bonds

1 1 1 8
2 16 1 2
3 1 1 7
4 13 1 15
5 16 3 2
6 12 2 9
7 17 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 14 15 24
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

Angles

1 30 2 1 8
2 2 8 1 7
3 26 8 1 15
4 30 2 1 7
5 31 2 1 15
6 26 7 1 15
7 32 1 2 3
8 33 1 2 9
9 34 1 2 4
10 33 3 2 9
11 34 3 2 4
12 35 4 2 9
13 36 2 3 6
14 30 2 3 10
15 30 2 3 11
16 3 6 3 10
17 3 6 3 11
18 2 10 3 11
19 37 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 24 1 15 24
38 24 14 15 24
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

Dihedrals

1 40 8 1 2 3
2 41 8 1 2 9
3 42 8 1 2 4
4 40 7 1 2 3
5 41 7 1 2 9
6 42 7 1 2 4
7 43 15 1 2 3
8 44 15 1 2 9
9 45 15 1 2 4
10 28 8 1 15 14
11 30 8 1 15 24
12 46 2 1 15 14
13 47 2 1 15 24
14 28 7 1 15 14
15 30 7 1 15 24
16 48 6 3 2 1
17 40 10 3 2 1
18 40 11 3 2 1
19 49 6 3 2 9
20 41 10 3 2 9
21 41 11 3 2 9
22 50 6 3 2 4
23 42 10 3 2 4
24 42 11 3 2 4
25 52 1 2 4 25
26 52 3 2 4 25
27 53 9 2 4 25
28 51 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 29 13 14 15 24
54 28 22 14 15 1
55 30 22 14 15 24
56 28 23 14 15 1
57 30 23 14 15 24
58 29 18 17 16 26
59 30 28 17 16 26
60 30 29 17 16 26
61 29 18 17 16 27
62 30 28 17 16 27
63 30 29 17 16 27
64 31 16 17 18 12
65 32 30 18 17 16
66 32 31 18 17 16
67 32 28 17 18 12
68 33 28 17 18 30
69 33 28 17 18 31
70 32 29 17 18 12
71 33 29 17 18 30
72 33 29 17 18 31

Impropers

1 4 13 12 18 19
2 4 1 15 14 24
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