ATOM 25
1 C1z C 25.2631 -19.0308
2 C8y C 23.9255 -18.5924
3 O2x O 26.0985 -17.8974
4 C8y C 23.9312 -17.1847
5 C8x C 22.7220 -19.2935
6 C1x C 25.2748 -16.7523
7 C8x C 22.7220 -16.4837
8 C8x C 21.5011 -18.5867
9 C8y C 21.5011 -17.1847
10 C3b C 20.2860 -16.4837
11 N3a N 19.0713 -15.7825
12 C8y C 25.2631 -20.4335
13 C8x C 24.0499 -21.1339
14 C8x C 24.0499 -22.5366
15 C8y C 25.2647 -23.2380
16 C8x C 26.4779 -22.5376
17 C8x C 26.4779 -21.1349
18 X F 25.2644 -24.6141
19 C1b C 26.6658 -19.0308
20 C1b C 27.3518 -20.2188
21 C1b C 28.7557 -20.2188
22 N2b N 29.4472 -21.4161
23 C1a C 30.5797 -22.5361
24 C1a C 29.1805 -22.8154
25 O3a O 30.6409 -20.3367
BOND 27
1 1 2 1
2 1 3 1
3 2 4 2
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 2
8 7 9 2
9 9 10 1
10 4 6 1
11 8 9 1
12 10 11 3
13 1 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 15 18 1
21 1 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 22 24 1
27 22 25 2
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