ATOM 29
1 C2b C 18.9430 -12.1419
2 C2b C 20.6037 -12.1419
3 C6a C 18.2511 -13.3404
4 C6a C 21.2957 -13.3404
5 O6a O 22.6794 -13.3404
6 O6a O 16.8674 -13.3404
7 O6a O 18.9336 -14.5221
8 O6a O 20.6132 -14.5221
9 C8y C 13.5734 -10.7194
10 N4y N 12.7313 -9.6098
11 C8y C 13.0665 -8.2530
12 S2x S 14.3275 -7.6749
13 N5x N 14.9792 -10.7446
14 C8y C 15.5811 -8.2972
15 C8y C 15.8676 -9.6659
16 C8x C 17.1988 -10.1030
17 C8x C 18.2430 -9.1686
18 C8x C 17.9566 -7.7999
19 C8x C 16.6252 -7.3628
20 N1y N 12.9389 -11.9691
21 C1x C 11.5373 -11.9691
22 C1x C 10.8365 -13.1829
23 N1y N 11.5373 -14.3969
24 C1x C 12.9389 -14.3969
25 C1x C 13.6397 -13.1829
26 C1a C 10.8303 -15.6209
27 N5x N 11.8797 -7.5149
28 C8x C 10.8110 -8.4156
29 C8x C 11.3373 -9.5702
BOND 31
1 1 2 2
2 1 3 1
3 2 4 1
4 4 5 2
5 3 6 1
6 3 7 2
7 4 8 1
8 11 12 1
9 9 13 2
10 12 14 1
11 10 11 1
12 13 15 1
13 9 10 1
14 14 15 1
15 15 16 2
16 16 17 1
17 17 18 2
18 18 19 1
19 14 19 2
20 9 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 20 25 1
27 23 26 1
28 11 27 2
29 27 28 1
30 28 29 2
31 10 29 1
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