ATOM 38
1 C1y C 35.2427 -25.0588
2 N1y N 35.2427 -26.4462
3 C2y C 36.4444 -27.1397
4 C2y C 37.6459 -26.4462
5 C1x C 37.6459 -25.0588
6 S2x S 36.4444 -24.3651
7 C1y C 33.8553 -25.0588
8 C5x C 33.8553 -26.4462
9 N1b N 32.6540 -24.3651
10 C5a C 31.4522 -25.0588
11 O5a O 31.4522 -26.4462
12 O5x O 32.6540 -27.1397
13 C2c C 30.2507 -24.3651
14 C1b C 38.8658 -27.1508
15 C8y C 29.0297 -25.0704
16 O7a O 40.0723 -26.4545
17 C7a C 41.2735 -27.1484
18 C8x C 27.8849 -24.2643
19 S2x S 26.7600 -25.1042
20 C8y C 27.2110 -26.4335
21 N5x N 28.6148 -26.4155
22 N1a N 42.5114 -26.4338
23 O6a O 41.2737 -28.5224
24 C7a C 36.4443 -28.8708
25 O7a O 35.2331 -29.5700
26 O6a O 37.6435 -29.5630
27 C1b C 34.0418 -28.8820
28 O7a O 32.8629 -29.5624
29 C7a C 31.6782 -28.8782
30 C1d C 30.4961 -29.5605
31 O6a O 31.6782 -27.4794
32 C1a C 29.2910 -30.2564
33 C1a C 29.8096 -28.3709
34 C1a C 31.2007 -30.7814
35 C2b C 30.2506 -22.9562
36 N1a N 26.3786 -27.5702
37 C1b C 31.4546 -22.2609
38 C1a C 31.4546 -20.8608
BOND 40
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 2 8 1
10 7 9 1 #Up
11 9 10 1
12 10 11 2
13 8 12 2
14 10 13 1
15 4 14 1
16 13 15 1
17 14 16 1
18 16 17 1
19 15 18 2
20 18 19 1
21 19 20 1
22 20 21 2
23 15 21 1
24 17 22 1
25 17 23 2
26 3 24 1
27 24 25 1
28 24 26 2
29 25 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 29 31 2
34 30 32 1
35 30 33 1
36 30 34 1
37 13 35 2
38 20 36 1
39 35 37 1
40 37 38 1
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