ATOM 39
1 C8y C 21.8383 -15.6147
2 N5x N 20.6344 -14.9268
3 C8y C 21.8205 -16.9964
4 N1b N 23.0480 -14.9089
5 C8x C 19.4364 -15.6325
6 N5x N 20.6463 -17.7023
7 C1b C 23.0304 -17.6904
8 C5a C 23.0422 -13.5153
9 C8y C 19.4364 -17.0083
10 C8y C 24.2223 -16.9906
11 C1b C 23.9850 -12.5486
12 C8y C 18.2386 -17.7081
13 C8x C 25.4262 -17.6844
14 C8x C 24.2223 -15.6087
15 C8y C 25.4024 -12.5486
16 C8x C 18.2386 -19.1137
17 C8x C 17.0228 -17.0083
18 C8x C 26.6359 -16.9964
19 C8x C 25.4143 -14.9089
20 C8x C 26.0905 -13.7585
21 C8x C 26.1141 -11.3627
22 C8x C 17.0228 -19.8194
23 C8x C 15.8189 -17.7081
24 C8x C 26.6240 -15.5968
25 C8x C 27.4782 -13.7823
26 C8x C 27.5018 -11.3746
27 C8y C 15.8189 -19.1137
28 C8y C 28.1780 -12.5724
29 O2a O 14.6150 -19.8017
30 O2a O 29.7020 -12.5486
31 S4a S 13.1926 -19.8017
32 O1d O 13.1926 -18.3794
33 O1d O 11.7704 -19.8017
34 O1d O 13.1926 -21.2241
35 S4a S 31.1244 -12.5486
36 O1d O 31.1244 -11.1264
37 O1d O 32.5467 -12.5486
38 O1d O 31.1244 -13.9710
39 O5a O 21.7289 -12.9842
BOND 42
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 3 7 1
7 4 8 1
8 5 9 2
9 7 10 1
10 8 11 1
11 9 12 1
12 10 13 1
13 10 14 2
14 11 15 1
15 12 16 2
16 12 17 1
17 13 18 2
18 14 19 1
19 15 20 1
20 15 21 2
21 16 22 1
22 17 23 2
23 18 24 1
24 20 25 2
25 21 26 1
26 22 27 2
27 25 28 1
28 27 29 1
29 28 30 1
30 6 9 1
31 19 24 2
32 23 27 1
33 26 28 2
34 29 31 1
35 31 32 2
36 31 33 2
37 31 34 1
38 30 35 1
39 35 36 2
40 35 37 2
41 35 38 1
42 8 39 2
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