ATOM 29
1 C8y C 22.8069 -19.0163
2 C8x C 22.8069 -20.4146
3 C8y C 24.0178 -21.1137
4 N5x N 25.2288 -20.4146
5 C8y C 25.2288 -19.0163
6 N5x N 24.0178 -18.3172
7 N1b N 26.4648 -18.3172
8 C5a C 27.6758 -19.0163
9 N1b N 28.8867 -18.3172
10 S4a S 30.0976 -19.0163
11 O2a O 21.5960 -18.3172
12 C1a C 20.4020 -19.0067
13 O5a O 27.6758 -20.4144
14 O3c O 29.3985 -20.2272
15 O3c O 30.8667 -20.2272
16 N1b N 31.3085 -18.3172
17 C8y C 32.5402 -19.0285
18 C8x C 32.5399 -20.4145
19 C8x C 33.7507 -21.1139
20 C8x C 34.9618 -20.4151
21 C8x C 34.9621 -19.0290
22 C8y C 33.7513 -18.3297
23 C5a C 33.7513 -16.9193
24 C1y C 34.9863 -16.2060
25 O5a O 32.5645 -16.2337
26 C1x C 35.3481 -14.8553
27 C1x C 36.3369 -15.8440
28 O2a O 24.0180 -22.5400
29 C1a C 25.2245 -23.2364
BOND 31
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 1 11 1
12 11 12 1
13 8 13 2
14 10 14 2
15 10 15 2
16 10 16 1
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 17 22 1
24 22 23 1
25 23 24 1
26 23 25 2
27 24 26 1
28 24 27 1
29 26 27 1
30 3 28 1
31 28 29 1
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