ATOM 28
1 C1c C 9.5116 -16.8418
2 C5a C 8.2945 -17.5466
3 N1b N 9.5116 -15.4442
4 C1b C 10.7173 -17.5466
5 N1b N 7.0832 -16.8418
6 O5a O 8.2945 -18.9502
7 C5a C 8.2945 -14.7453
8 S2a S 11.9287 -16.8418
9 R R 5.8718 -17.5466
10 O5a O 8.2945 -13.3475
11 R R 7.0832 -15.4442
12 C5a C 13.1317 -17.5139
13 C1b C 14.3449 -16.8135
14 C1b C 15.5581 -17.5139
15 C1b C 16.7713 -16.8135
16 C1b C 17.9845 -17.5139
17 C1b C 19.1977 -16.8135
18 C1b C 20.4108 -17.5139
19 C1b C 21.6240 -16.8135
20 C1b C 22.8372 -17.5139
21 C1b C 24.0504 -16.8135
22 C1b C 25.2636 -17.5139
23 C1b C 26.4768 -16.8135
24 C1b C 27.6900 -17.5139
25 C1b C 28.9032 -16.8135
26 C1b C 30.1163 -17.5139
27 C1a C 31.3295 -16.8135
28 O5a O 13.1317 -18.9149
BOND 27
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 1
9 7 10 2
10 7 11 1
11 8 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 12 28 2
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