ATOM 29
1 C5x C 30.4793 -16.3413
2 C1y C 29.6360 -15.2302
3 C1y C 29.9717 -13.8715
4 S2x S 31.2344 -13.2927
5 N1y N 31.8870 -16.2966
6 C8y C 32.4897 -13.9158
7 C8y C 32.7766 -15.2864
8 C8x C 34.1096 -15.7241
9 C8x C 35.1552 -14.7884
10 C8x C 34.8685 -13.4178
11 C8x C 33.5352 -12.9801
12 O5x O 29.7566 -17.5426
13 C1b C 32.5660 -17.5230
14 C8y C 28.9632 -12.9018
15 C8x C 28.9632 -11.4999
16 C8x C 27.7491 -10.7990
17 C8y C 26.5350 -11.4999
18 C8x C 26.5350 -12.9018
19 C8x C 27.7491 -13.6028
20 O2a O 25.3382 -10.8087
21 C1a C 24.1532 -11.4927
22 O7a O 28.2754 -15.5108
23 C7a C 27.8367 -16.8326
24 C1a C 26.4518 -17.1179
25 O6a O 28.7568 -17.8676
26 C1b C 33.9905 -17.4786
27 N1c N 34.6591 -18.6859
28 C1a C 36.0935 -18.7109
29 C1a C 33.9326 -19.8941
BOND 31
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 6 11 2
13 1 12 2
14 5 13 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 3 14 1 #Down
22 17 20 1
23 20 21 1
24 2 22 1 #Down
25 22 23 1
26 23 24 1
27 23 25 2
28 13 26 1
29 26 27 1
30 27 28 1
31 27 29 1
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