ATOM 51
1 C8x C 11.0786 -14.2143
2 C8x C 11.0786 -15.6078
3 C8x C 12.2631 -16.3046
4 C8x C 12.2631 -13.5176
5 C8y C 13.4476 -14.2143
6 C8y C 13.4476 -15.6078
7 C5x C 14.7017 -16.3046
8 C5x C 14.7017 -13.5176
9 C8y C 15.8862 -14.2143
10 C8y C 15.8862 -15.6078
11 C8y C 17.0707 -16.3046
12 C8x C 18.3248 -15.6078
13 C8y C 18.3248 -14.2143
14 C8y C 17.1403 -13.5176
15 N1b N 17.0707 -17.6981
16 C8y C 18.2551 -18.3948
17 C8x C 18.2548 -19.7883
18 C8y C 19.5093 -20.4851
19 C8y C 20.6938 -19.7883
20 C8x C 20.6938 -18.3948
21 C8x C 19.5093 -17.6981
22 N1b N 21.8782 -20.4851
23 C8y C 23.0627 -19.8580
24 N5x N 24.3169 -20.5547
25 C8y C 25.5013 -19.8580
26 N5x N 25.5013 -18.4645
27 C8y C 24.3169 -17.7677
28 N5x N 23.0627 -18.4645
29 N1b N 26.6858 -20.5547
30 C8y C 27.9400 -19.8580
31 C8x C 29.1244 -20.6244
32 C8x C 30.3089 -19.9277
33 C8x C 30.3089 -18.5342
34 C8y C 29.1244 -17.7677
35 C8x C 27.9400 -18.4645
36 X Cl 24.3169 -16.3743
37 O5x O 14.7017 -12.1241
38 O5x O 14.7017 -17.6981
39 N1a N 17.1403 -12.1241
40 S4a S 19.5093 -13.5176
41 O1d O 19.5093 -14.9808
42 O1d O 19.5093 -12.1241
43 O1d O 20.9028 -13.5176
44 S4a S 19.5093 -21.8786
45 O1d O 18.1158 -21.8786
46 O1d O 20.9725 -21.8786
47 O1d O 19.5093 -23.4114
48 S4a S 29.1244 -16.3743
49 O1d O 30.6573 -16.3743
50 O1d O 27.7309 -16.3743
51 O1d O 29.1244 -14.9808
BOND 56
1 3 6 2
2 9 10 2
3 10 11 1
4 11 12 2
5 23 24 2
6 24 25 1
7 25 26 2
8 26 27 1
9 27 28 2
10 28 23 1
11 12 13 1
12 25 29 1
13 13 14 2
14 29 30 1
15 14 9 1
16 5 6 1
17 11 15 1
18 6 7 1
19 15 16 1
20 30 31 2
21 31 32 1
22 32 33 2
23 33 34 1
24 34 35 2
25 35 30 1
26 7 10 1
27 27 36 1
28 9 8 1
29 8 37 2
30 8 5 1
31 7 38 2
32 5 4 2
33 14 39 1
34 4 1 1
35 13 40 1
36 16 17 2
37 40 41 2
38 17 18 1
39 40 42 2
40 18 19 2
41 40 43 1
42 19 20 1
43 18 44 1
44 20 21 2
45 44 45 2
46 21 16 1
47 44 46 2
48 44 47 1
49 19 22 1
50 34 48 1
51 1 2 2
52 48 49 2
53 22 23 1
54 48 50 2
55 2 3 1
56 48 51 1
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