ATOM 37
1 C1y C 32.7765 -19.2597
2 N1y N 32.7765 -20.6604
3 C2y C 33.9671 -21.3607
4 C2y C 35.1577 -20.6604
5 C1x C 35.1577 -19.2597
6 S2x S 33.9671 -18.5594
7 C1y C 31.3758 -19.2597
8 C5x C 31.3758 -20.6604
9 N1b N 30.1152 -18.5594
10 C5a C 28.9246 -19.2597
11 O5a O 28.9246 -20.6604
12 O5x O 30.1152 -21.3607
13 C2c C 27.7340 -18.5594
14 C1b C 36.4184 -21.3607
15 C8y C 26.4734 -19.2597
16 C8x C 25.4229 -18.4193
17 S2x S 24.2323 -19.1897
18 C8y C 24.6525 -20.5904
19 N5x N 26.0532 -20.5904
20 N2b N 27.7340 -17.1587
21 C6a C 33.9671 -22.7614
22 O6a O 35.1577 -23.4618 #-
23 O6a O 32.7065 -23.4618
24 N1a N 23.8121 -21.7109
25 N5y N 37.6089 -20.5904 #+
26 C8x C 38.7995 -21.2907
27 C8x C 39.9901 -20.5904
28 C8x C 39.9901 -19.1897
29 C8x C 38.7995 -18.4893
30 C8x C 37.6089 -19.1897
31 O2a O 28.9246 -16.4583
32 C1d C 28.9246 -15.0576
33 C1a C 28.9246 -13.6569
34 C6a C 30.3253 -15.0576
35 C1a C 27.5239 -15.0576
36 O6a O 31.0257 -16.2482
37 O6a O 31.0257 -13.8670
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 15 16 2
18 16 17 1
19 17 18 1
20 18 19 2
21 15 19 1
22 13 20 2
23 3 21 1
24 21 22 1
25 21 23 2
26 18 24 1
27 14 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 25 30 1
34 20 31 1
35 31 32 1
36 32 33 1
37 32 34 1
38 32 35 1
39 34 36 1
40 34 37 2
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