ATOM 37
1 C1z C 28.0244 -16.2903
2 C8y C 26.8215 -16.9909
3 C1b C 29.2386 -16.9850
4 C8x C 25.6072 -16.2903
5 C8x C 26.8215 -18.3921
6 C1b C 30.4530 -16.2845
7 C8y C 24.3930 -16.9909
8 C8x C 25.6072 -19.0984
9 C1b C 31.6614 -16.9734
10 C8y C 24.3930 -18.3921
11 O2a O 23.1728 -16.2903
12 N1c N 32.8758 -16.2787
13 O2a O 23.1728 -19.0984
14 C1a C 21.9584 -16.9909
15 C1b C 34.0901 -16.9676
16 C1a C 32.8758 -14.8718
17 C1a C 21.9584 -18.3979
18 C1b C 35.3045 -16.2727
19 C8y C 36.5071 -16.9617
20 C8x C 37.7215 -16.2611
21 C8x C 36.5131 -18.3571
22 C8y C 38.9301 -16.9559
23 C8x C 37.7273 -19.0577
24 C8y C 38.9359 -18.3512
25 O2a O 40.1443 -16.2496
26 C1a C 41.3645 -16.9443
27 O2a O 40.1431 -19.0407
28 C1a C 41.3365 -18.3444
29 S2x S 29.2411 -15.5956
30 C1x C 29.2478 -14.1964
31 C1x C 28.0394 -13.4910
32 C1x C 26.8228 -14.1858
33 S2x S 26.8159 -15.5850
34 O3c O 25.4165 -15.5956
35 O3c O 25.8364 -14.6162
36 O3c O 30.2205 -14.6162
37 O3c O 30.6403 -15.5956
BOND 39
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 6 9 1
9 7 10 2
10 7 11 1
11 9 12 1
12 10 13 1
13 11 14 1
14 12 15 1
15 12 16 1
16 13 17 1
17 15 18 1
18 18 19 1
19 19 20 1
20 19 21 2
21 20 22 2
22 21 23 1
23 22 24 1
24 22 25 1
25 25 26 1
26 8 10 1
27 23 24 2
28 24 27 1
29 27 28 1
30 1 29 1
31 29 30 1
32 30 31 1
33 31 32 1
34 32 33 1
35 1 33 1
36 33 34 2
37 33 35 2
38 29 36 2
39 29 37 2
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