ATOM 40
1 C1y C 32.8483 -18.4221
2 C2y C 31.6560 -17.7324
3 C2y C 34.0231 -17.7324
4 C8y C 32.8366 -20.6165
5 C2y C 31.6560 -16.3647
6 C7a C 30.4635 -18.4221
7 C2y C 34.0231 -16.3647
8 C7a C 35.2155 -18.4162
9 C8y C 31.6443 -21.3003
10 C8x C 34.0114 -21.3003
11 N1x N 32.8483 -15.6808
12 C1a C 30.4635 -15.6808
13 O7a O 29.2829 -17.7382
14 O6a O 30.4623 -19.7193
15 C1a C 35.2155 -15.6808
16 O7a O 36.3961 -17.7324
17 O6a O 35.2155 -19.7898
18 C8x C 31.6443 -22.6739
19 C1d C 30.4518 -20.6165
20 C8x C 34.0114 -22.6739
21 C1b C 28.0905 -18.4221
22 C1b C 37.5886 -18.4162
23 C8x C 32.8366 -23.3577
24 C1b C 26.9099 -17.7382
25 C1a C 38.7975 -17.7134
26 N1b N 25.6978 -18.4357
27 C5a C 24.4877 -17.7346
28 C8y C 23.2756 -18.4321
29 O5a O 24.4758 -16.3325
30 C8x C 22.0677 -17.7317
31 C8x C 20.8556 -18.4291
32 C8y C 20.8536 -19.8275
33 C8x C 22.0636 -20.5285
34 C8x C 23.2756 -19.8310
35 N2b N 19.6364 -20.5260
36 X F 29.2428 -21.3193
37 X F 29.2362 -19.9132
38 X F 31.6585 -19.9063
39 N0 N 18.4271 -19.8236
40 N3a N 17.3003 -18.9881
BOND 42
1 9 18 2
2 9 19 1
3 10 20 1
4 13 21 1
5 16 22 1
6 18 23 1
7 21 24 1
8 7 11 1
9 20 23 2
10 22 25 1
11 1 2 1
12 24 26 1
13 1 3 1
14 26 27 1
15 1 4 1
16 27 28 1
17 2 5 2
18 27 29 2
19 2 6 1
20 3 7 2
21 3 8 1
22 4 9 1
23 4 10 2
24 28 30 2
25 30 31 1
26 31 32 2
27 32 33 1
28 33 34 2
29 34 28 1
30 5 11 1
31 32 35 1
32 5 12 1
33 6 13 1
34 6 14 2
35 19 36 1
36 7 15 1
37 19 37 1
38 8 16 1
39 19 38 1
40 35 39 2
41 8 17 2
42 39 40 3
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