ATOM 38
1 C1c C 25.1335 -20.9585
2 C5a C 26.3330 -21.6499
3 N1b N 23.9398 -21.6499
4 C1b C 25.1568 -19.3349
5 O5a O 26.3330 -23.0262
6 C5a C 22.7476 -20.9585
7 S2a S 23.8339 -18.5668
8 C1b C 21.5538 -21.6499
9 O5a O 22.7476 -19.5832
10 C1b C 20.3604 -20.9585
11 C1c C 19.1609 -21.6499
12 C6a C 17.9744 -20.9585
13 N1a N 19.1609 -23.0262
14 O6a O 16.7808 -21.6499
15 O6a O 17.9802 -19.5832
16 N1b N 27.5322 -20.9578
17 C1b C 28.7244 -21.6494
18 C6a C 29.9236 -20.9573
19 O6a O 31.1229 -21.6487
20 O6a O 29.9232 -19.5806
21 C8y C 23.8339 -14.3671
22 N1c N 25.0455 -15.0604
23 C8x C 22.6224 -15.0604
24 C8x C 23.8339 -12.9634
25 C1b C 25.0455 -16.4641
26 C1b C 26.2629 -14.3671
27 C8x C 21.4050 -14.3671
28 C8x C 22.6224 -12.2587
29 C1b C 23.8339 -17.1690
30 C1b C 27.4687 -15.0604
31 C8y C 21.4109 -12.9751
32 X Cl 28.6801 -14.3671
33 C1b C 20.1993 -12.2703
34 C1c C 18.9878 -12.9751
35 C6a C 17.7704 -12.2703
36 N1a N 18.9878 -14.3730
37 O6a O 16.5646 -12.9751
38 O6a O 17.7704 -10.8665
BOND 38
1 18 19 2
2 18 20 1
3 1 2 1
4 1 3 1
5 1 4 1 #Up
6 2 5 2
7 3 6 1
8 4 7 1
9 6 8 1
10 6 9 2
11 8 10 1
12 10 11 1
13 11 12 1 #Down
14 11 13 1
15 12 14 1
16 12 15 2
17 2 16 1
18 16 17 1
19 17 18 1
20 21 22 1
21 21 23 2
22 21 24 1
23 22 25 1
24 22 26 1
25 23 27 1
26 24 28 2
27 25 29 1
28 26 30 1
29 27 31 2
30 29 7 1
31 30 32 1
32 31 33 1
33 33 34 1
34 34 35 1
35 34 36 1
36 35 37 1
37 35 38 2
38 28 31 1
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