ATOM 40
1 C8y C 26.1796 -15.5049
2 N4y N 24.9946 -14.8278
3 C8y C 26.1620 -16.8649
4 C8x C 23.8154 -15.5224
5 N4x N 25.0063 -17.5597
6 C1b C 27.3529 -17.5480
7 C8y C 23.8154 -16.8766
8 C8y C 28.5261 -16.8592
9 C8y C 22.6364 -17.5654
10 C8x C 29.7111 -17.5421
11 C8x C 28.5261 -15.4990
12 C8x C 22.6364 -18.9489
13 C8x C 21.4398 -16.8766
14 C8x C 30.9018 -16.8649
15 C8x C 29.6994 -14.8102
16 C8x C 21.4398 -19.6435
17 C8x C 20.2548 -17.5654
18 C8x C 30.8901 -15.4873
19 C8y C 20.2548 -18.9489
20 O2a O 19.0698 -19.6261
21 S4a S 17.6698 -19.6261
22 O1d O 17.6698 -18.2261
23 O1d O 16.2699 -19.6261
24 O1d O 17.6698 -21.0261
25 N5x N 27.1897 -14.5871
26 C8y C 26.6290 -13.3428
27 C8y C 25.2724 -13.4915
28 O5x O 24.3390 -12.4644
29 C1b C 27.3044 -12.1601
30 C8y C 28.6998 -12.1536
31 C8x C 29.4171 -13.3824
32 C8x C 30.8171 -13.3757
33 C8y C 31.5112 -12.1599
34 C8x C 30.7939 -10.9311
35 C8x C 29.3939 -10.9378
36 O2a O 32.9112 -12.1599
37 S4a S 34.3112 -12.1599
38 O1d O 35.7112 -12.1599
39 O1d O 34.3110 -10.7800
40 O1d O 34.3114 -13.5800
BOND 44
1 1 2 1
2 1 3 2
3 2 4 1
4 3 5 1
5 3 6 1
6 4 7 2
7 6 8 1
8 7 9 1
9 8 10 1
10 8 11 2
11 9 12 2
12 9 13 1
13 10 14 2
14 11 15 1
15 12 16 1
16 13 17 2
17 14 18 1
18 16 19 2
19 19 20 1
20 5 7 1
21 15 18 2
22 17 19 1
23 20 21 1
24 21 22 2
25 21 23 2
26 21 24 1
27 1 25 1
28 25 26 2
29 26 27 1
30 2 27 1
31 27 28 2
32 26 29 1
33 29 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 30 35 1
40 33 36 1
41 36 37 1
42 37 38 1
43 37 39 2
44 37 40 2
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