ATOM 30
1 C8y C 23.2057 -19.5544
2 C8x C 23.2688 -18.1511
3 C8x C 21.9790 -17.4521
4 C8y C 20.7665 -18.1633
5 C8x C 20.7736 -19.5666
6 C8x C 21.9933 -20.2586
7 C8y C 34.1073 -20.2454
8 C8x C 34.1003 -21.6487
9 C8x C 35.3130 -22.3599
10 C8x C 36.5327 -21.6609
11 C8x C 36.5398 -20.2576
12 C8x C 35.3270 -19.5534
13 C8y C 29.2630 -20.2525
14 C8x C 29.2630 -21.6556
15 C8x C 30.4822 -22.3609
16 C8x C 31.6941 -21.6556
17 C8y C 31.6941 -20.2525
18 C8x C 30.4822 -19.5544
19 O2a O 32.9016 -19.5544
20 C1c C 28.0502 -19.5544
21 O7a O 26.8374 -20.2525
22 C7a C 25.6245 -19.5544
23 C1c C 24.4187 -20.2525
24 X Cl 19.5461 -17.4531
25 C1c C 24.4187 -21.6487
26 C1a C 25.6245 -22.3468
27 C1a C 23.1988 -22.3468
28 O6a O 25.6174 -18.1511
29 C3b C 28.0431 -18.1511
30 N3a N 28.0361 -16.7479
BOND 32
1 4 5 2
2 13 14 2
3 14 15 1
4 15 16 2
5 16 17 1
6 17 18 2
7 18 13 1
8 5 6 1
9 17 19 1
10 19 7 1
11 7 8 2
12 13 20 1
13 8 9 1
14 20 21 1
15 9 10 2
16 21 22 1
17 10 11 1
18 22 23 1
19 23 1 1
20 11 12 2
21 4 24 1
22 12 7 1
23 23 25 1
24 6 1 2
25 25 26 1
26 25 27 1
27 1 2 1
28 22 28 2
29 2 3 2
30 20 29 1
31 3 4 1
32 29 30 3
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