ATOM 26
1 C1y C 36.5820 -21.4490
2 C1x C 37.2806 -22.6625
3 C1y C 37.9768 -21.4463
4 C2b C 18.5392 -18.5206
5 C1b C 19.7528 -17.8220
6 C1c C 20.9665 -18.5135
7 C1b C 22.1802 -17.8149
8 C1b C 23.3938 -18.5065
9 C2c C 24.6075 -17.8079
10 C2b C 25.8213 -18.4994
11 C2b C 27.0279 -17.8008
12 C2b C 28.2415 -18.4923
13 C1b C 29.4552 -17.7937
14 C1b C 30.6690 -18.4853
15 C2a C 17.3283 -17.8235
16 C2b C 31.8837 -17.7829
17 C1a C 24.6745 -16.4037
18 O2a O 20.9696 -19.9177
19 C1a C 19.7541 -20.6259
20 C2b C 33.2868 -17.7797
21 C1y C 34.5005 -18.4782
22 N2x N 34.6477 -19.8791
23 C2y C 36.0182 -20.1777
24 S2x S 36.7166 -18.9639
25 C1x C 35.7850 -17.9197
26 C1a C 38.6708 -20.2281
BOND 27
1 6 7 1
2 13 14 1
3 4 15 2
4 7 8 1
5 14 16 1
6 1 2 1
7 9 17 1
8 8 9 1
9 6 18 1 #Up
10 4 5 1
11 18 19 1
12 9 10 2
13 16 20 2
14 1 3 1
15 21 20 1 #Down
16 10 11 1
17 5 6 1
18 11 12 2
19 3 2 1
20 21 22 1
21 22 23 2
22 23 24 1
23 24 25 1
24 25 21 1
25 1 23 1 #Up
26 12 13 1
27 3 26 1 #Up
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