ATOM 25
1 C8y C 28.8022 -22.7234
2 C8x C 28.7906 -24.1250
3 C8x C 30.0012 -24.8331
4 C8x C 31.2233 -24.1397
5 C8x C 31.2287 -22.7349
6 C8x C 30.0181 -22.0267
7 C1y C 30.0005 -17.8229
8 C1x C 31.3398 -18.1822
9 C1x C 32.1052 -17.0168
10 C1x C 31.2265 -15.9355
11 N1y N 29.9957 -16.4284
12 C8x C 25.1461 -24.8079
13 C8x C 26.3692 -24.1160
14 C8y C 26.3751 -22.7083
15 C8x C 25.1674 -22.0020
16 C8x C 23.9502 -22.6973
17 C8x C 23.9348 -24.0955
18 C1d C 27.5940 -22.0209
19 C5a C 27.5832 -20.6197
20 N1b N 28.7938 -19.9186
21 C1b C 28.7896 -18.5162
22 O5a O 26.3653 -19.9237
23 C1b C 28.7495 -15.6643
24 C1a C 28.7561 -14.2645
25 O1a O 27.5759 -23.4236
BOND 27
1 1 2 1
2 2 3 2
3 3 4 1
4 12 13 2
5 13 14 1
6 14 15 2
7 15 16 1
8 16 17 2
9 17 12 1
10 4 5 2
11 14 18 1
12 7 8 1
13 18 19 1
14 8 9 1
15 19 20 1
16 9 10 1
17 20 21 1
18 21 7 1
19 10 11 1
20 19 22 2
21 11 7 1
22 11 23 1
23 5 6 1
24 23 24 1
25 18 1 1
26 6 1 2
27 18 25 1
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