2styrene_reacted

32 atoms           
33 bonds           
54 angles           
79 dihedrals           
22 impropers           

Types

1 1
2 2
3 1
4 5
5 1
6 2
7 1
8 2
9 1
10 2
11 1
12 2
13 2
14 6
15 2
16 2
17 1
18 2
19 1
20 5
21 1
22 2
23 1
24 2
25 1
26 2
27 1
28 2
29 2
30 6
31 2
32 2

Charges

1 -0.129000
2 0.123700
3 0.026600
4 -0.018200
5 -0.129000
6 0.123700
7 -0.173400
8 0.140300
9 -0.113400
10 0.128800
11 -0.173400
12 0.140300
13 0.051600
14 -0.069600
15 0.035400
16 0.035400
17 -0.129000
18 0.123700
19 0.026600
20 -0.018200
21 -0.129000
22 0.123700
23 -0.173400
24 0.140300
25 -0.113400
26 0.128800
27 -0.173400
28 0.140300
29 0.051600
30 -0.069600
31 0.035400
32 0.035400

Coords

1 13.465810 0.682530 -1.658940
2 14.397820 1.221530 -1.658940
3 12.235820 1.392530 -1.658940
4 12.235820 2.892530 -1.658940
5 11.005820 0.682530 -1.658940
6 10.073820 1.221530 -1.658940
7 11.005820 -0.737470 -1.658940
8 10.073820 -1.276460 -1.658940
9 12.235820 -1.447460 -1.658940
10 12.235820 -2.524470 -1.658940
11 13.465810 -0.737470 -1.658940
12 14.397820 -1.276460 -1.658940
13 13.101820 3.297530 -1.301940
14 10.957820 3.441530 -2.220940
15 11.007810 4.183540 -2.319940
16 10.314820 2.618530 -2.514940
17 18.663521 0.855480 -1.372130
18 19.595510 1.394480 -1.372130
19 17.433510 1.565480 -1.372130
20 17.433510 3.065480 -1.372130
21 16.203510 0.855480 -1.372130
22 15.271510 1.394480 -1.372130
23 16.203510 -0.564520 -1.372130
24 15.271510 -1.103520 -1.372130
25 17.433510 -1.274520 -1.372130
26 17.433510 -2.351520 -1.372130
27 18.663521 -0.564520 -1.372130
28 19.595510 -1.103520 -1.372130
29 18.299509 3.470480 -1.015130
30 16.155510 3.614480 -1.934130
31 16.205509 4.356480 -2.033130
32 15.512510 2.791480 -2.228130

Bonds

1 1 1 2
2 2 1 3
3 2 1 11
4 7 3 4
5 2 3 5
6 8 13 4
7 9 4 14
8 9 4 30
9 1 5 6
10 2 5 7
11 1 7 8
12 2 7 9
13 1 9 10
14 2 9 11
15 1 11 12
16 10 15 14
17 10 16 14
18 1 17 18
19 2 17 19
20 2 17 27
21 7 19 20
22 2 19 21
23 8 29 20
24 9 20 30
25 1 21 22
26 2 21 23
27 1 23 24
28 2 23 25
29 1 25 26
30 2 25 27
31 1 27 28
32 10 31 30
33 10 32 30

Angles

1 1 3 1 2
2 1 11 1 2
3 2 3 1 11
4 9 1 3 4
5 2 1 3 5
6 9 5 3 4
7 10 3 4 13
8 11 3 4 14
9 11 3 4 30
10 12 13 4 14
11 12 13 4 30
12 13 14 4 30
13 1 3 5 6
14 2 3 5 7
15 1 7 5 6
16 1 5 7 8
17 2 5 7 9
18 1 9 7 8
19 1 7 9 10
20 2 7 9 11
21 1 11 9 10
22 2 1 11 9
23 1 1 11 12
24 1 9 11 12
25 14 15 14 4
26 14 16 14 4
27 15 15 14 16
28 1 19 17 18
29 1 27 17 18
30 2 19 17 27
31 9 17 19 20
32 2 17 19 21
33 9 21 19 20
34 10 19 20 29
35 11 19 20 30
36 12 29 20 30
37 1 19 21 22
38 2 19 21 23
39 1 23 21 22
40 1 21 23 24
41 2 21 23 25
42 1 25 23 24
43 1 23 25 26
44 2 23 25 27
45 1 27 25 26
46 2 17 27 25
47 1 17 27 28
48 1 25 27 28
49 16 4 30 20
50 14 31 30 4
51 14 32 30 4
52 14 31 30 20
53 14 32 30 20
54 15 31 30 32

Dihedrals

1 10 2 1 3 4
2 2 5 3 1 2
3 11 11 1 3 4
4 4 11 1 3 5
5 2 9 11 1 2
6 5 2 1 11 12
7 4 3 1 11 9
8 2 3 1 11 12
9 12 1 3 4 13
10 13 1 3 4 14
11 13 1 3 4 30
12 12 5 3 4 13
13 13 5 3 4 14
14 13 5 3 4 30
15 2 1 3 5 6
16 4 1 3 5 7
17 10 6 5 3 4
18 11 7 5 3 4
19 14 3 4 14 15
20 14 3 4 14 16
21 15 13 4 14 15
22 15 13 4 14 16
23 16 30 4 14 15
24 16 30 4 14 16
25 17 3 4 30 20
26 14 3 4 30 31
27 14 3 4 30 32
28 18 13 4 30 20
29 15 13 4 30 31
30 15 13 4 30 32
31 19 14 4 30 20
32 16 14 4 30 31
33 16 14 4 30 32
34 2 3 5 7 8
35 4 3 5 7 9
36 5 6 5 7 8
37 2 9 7 5 6
38 2 5 7 9 10
39 4 5 7 9 11
40 5 8 7 9 10
41 2 11 9 7 8
42 4 7 9 11 1
43 2 7 9 11 12
44 2 1 11 9 10
45 5 10 9 11 12
46 10 18 17 19 20
47 2 21 19 17 18
48 11 27 17 19 20
49 4 27 17 19 21
50 2 25 27 17 18
51 5 18 17 27 28
52 4 19 17 27 25
53 2 19 17 27 28
54 12 17 19 20 29
55 13 17 19 20 30
56 12 21 19 20 29
57 13 21 19 20 30
58 2 17 19 21 22
59 4 17 19 21 23
60 10 22 21 19 20
61 11 23 21 19 20
62 17 19 20 30 4
63 14 19 20 30 31
64 14 19 20 30 32
65 18 29 20 30 4
66 15 29 20 30 31
67 15 29 20 30 32
68 2 19 21 23 24
69 4 19 21 23 25
70 5 22 21 23 24
71 2 25 23 21 22
72 2 21 23 25 26
73 4 21 23 25 27
74 5 24 23 25 26
75 2 27 25 23 24
76 4 23 25 27 17
77 2 23 25 27 28
78 2 17 27 25 26
79 5 26 25 27 28

Impropers

1 1 3 1 11 2
2 5 1 3 5 4
3 1 3 5 7 6
4 1 5 7 9 8
5 1 7 9 11 10
6 1 1 11 9 12
7 6 15 14 16 4
8 1 19 17 27 18
9 5 17 19 21 20
10 7 19 20 29 30
11 1 19 21 23 22
12 1 21 23 25 24
13 1 23 25 27 26
14 1 17 27 25 28
15 1 3 4 13 14
16 1 3 4 13 30
17 1 3 4 14 30
18 1 13 4 14 30
19 1 31 30 20 4
20 1 32 30 20 4
21 1 31 30 32 4
22 1 31 30 32 20