ATOM 27
1 C8y C 28.6266 -18.1394
2 N4y N 29.8403 -18.8513
3 C8y C 28.6324 -16.7390
4 C8x C 27.4245 -18.8455
5 C8y C 29.8345 -20.2517
6 C8x C 31.0598 -18.1511
7 C8y C 29.8519 -16.0447
8 C8x C 27.4245 -16.0388
9 C8y C 26.2050 -18.1394
10 C8x C 28.6207 -20.9403
11 C8x C 31.0539 -20.9519
12 C8y C 31.0656 -16.7449
13 C8x C 26.2050 -16.7390
14 C8x C 28.6150 -22.3464
15 C8x C 31.0481 -22.3581
16 C8y C 29.8286 -23.0526
17 X F 29.8222 -24.4486
18 C5a C 32.2760 -16.0493
19 O5x O 29.7860 -14.6487
20 C8y C 24.9956 -18.8367
21 O5a O 33.4836 -16.7496
22 N1a N 32.2787 -14.6532
23 C8x C 23.7942 -18.1401
24 C8x C 22.5846 -18.8374
25 N5x N 22.5838 -20.2335
26 C8x C 23.7923 -20.9321
27 C8x C 25.0019 -20.2348
BOND 30
1 6 12 2
2 8 13 1
3 10 14 1
4 11 15 2
5 14 16 2
6 7 12 1
7 9 13 2
8 15 16 1
9 16 17 1
10 1 2 1
11 12 18 1
12 1 3 1
13 7 19 2
14 1 4 2
15 9 20 1
16 2 5 1
17 18 21 2
18 2 6 1
19 18 22 1
20 3 7 1
21 3 8 2
22 4 9 1
23 5 10 2
24 5 11 1
25 20 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 27 20 1
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