ATOM 21
1 C8y C 23.5482 -16.4072
2 C8x C 23.5482 -17.8051
3 C8x C 22.3432 -15.7053
4 N1c N 24.7531 -15.6993
5 C8x C 22.3432 -18.5070
6 C8x C 21.1266 -16.4072
7 C5a C 25.9639 -16.4013
8 C1a C 24.7473 -14.3014
9 C8y C 21.1266 -17.8051
10 C1c C 27.1689 -15.6936
11 O5a O 25.9522 -17.7993
12 O7a O 19.9099 -18.4953
13 X Cl 28.3797 -16.3896
14 X Cl 27.1630 -14.2897
15 C7a C 18.6933 -17.7993
16 C8y C 17.4825 -18.5013
17 O6a O 18.6875 -16.4013
18 C8x C 17.0262 -19.8289
19 O2x O 16.3594 -17.6531
20 C8x C 15.6283 -19.8055
21 C8x C 15.2130 -18.4661
BOND 22
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 3 6 1
6 4 7 1
7 4 8 1
8 5 9 1
9 7 10 1
10 7 11 2
11 9 12 1
12 10 13 1
13 10 14 1
14 12 15 1
15 15 16 1
16 15 17 2
17 16 18 2
18 16 19 1
19 18 20 1
20 19 21 1
21 6 9 2
22 20 21 2
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