ATOM 21
1 N1c N 27.8791 -17.5656
2 C5a C 26.6868 -16.8770
3 C1b C 25.5189 -17.5514
4 X Cl 24.3713 -16.8888
5 O5a O 26.6869 -15.5286
6 C1b C 29.0388 -16.8959
7 C8y C 27.8791 -19.8072
8 C8y C 26.6960 -20.4903
9 C8x C 26.6960 -21.8598
10 C8x C 27.8820 -22.5445
11 C8x C 29.0651 -21.8614
12 C8y C 29.0651 -20.4919
13 C1a C 30.2375 -19.8149
14 C1a C 25.5279 -19.8158
15 C8y C 30.2483 -17.5940
16 S2x S 30.6920 -18.8950
17 C8x C 32.0672 -18.8806
18 C8x C 32.4784 -17.5683
19 C8y C 31.3574 -16.7716
20 O2a O 31.3436 -15.4001
21 C1a C 32.5611 -14.6807
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 2 5 2
5 1 6 1
6 1 7 1
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 12 13 1
14 8 14 1
15 6 15 1
16 15 16 1
17 16 17 1
18 17 18 2
19 18 19 1
20 15 19 2
21 19 20 1
22 20 21 1
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