ATOM 40
1 C8y C 17.3370 -17.8661
2 N4y N 17.3370 -19.1656
3 C8x C 16.2325 -19.8154
4 C8x C 15.0629 -19.1656
5 C8y C 15.0629 -17.8661
6 N5x N 16.2325 -17.2164
7 O5x O 18.4651 -17.2209
8 N1a N 13.9429 -17.2071
9 C1y C 18.4651 -19.8108
10 O1a O 17.3476 -21.7646
11 C1y C 18.4703 -21.1103
12 C1y C 19.5983 -21.7554
13 C1y C 20.7211 -21.1011
14 C1y C 20.7158 -19.8016
15 O2x O 19.5878 -19.1564
16 N1a N 21.8491 -21.7463
17 O2a O 22.9666 -19.7925
18 C1c C 21.8385 -19.1473
19 O1a O 19.6036 -23.0641
20 C1c C 21.8330 -13.6429
21 C1y C 24.0963 -19.1339
22 O2x O 25.2173 -19.7925
23 C1b C 27.4681 -19.7925
24 C1y C 26.3427 -19.1428
25 C1y C 26.3574 -17.8518
26 C1y C 25.2363 -17.1932
27 C1y C 24.1060 -17.8345
28 N1a N 25.2464 -15.9170
29 O1a O 27.4910 -17.2116
30 O1a O 22.9910 -17.1795
31 O1a O 28.5871 -19.1466
32 C1c C 22.9456 -12.9931
33 C1c C 24.0710 -13.6428
34 C1c C 25.1964 -12.9931
35 C1b C 26.3217 -13.6428
36 O1a O 27.4472 -12.9931
37 O1a O 20.6962 -12.9908
38 O1a O 22.9423 -11.6937
39 O1a O 24.0710 -14.9421
40 O1a O 25.1964 -11.6936
BOND 42
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 2
8 5 8 1
9 2 9 1
10 10 11 1
11 9 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 9 15 1
17 13 16 1
18 17 18 1
19 14 18 1
20 12 19 1
21 18 20 1
22 17 21 1
23 22 21 1
24 23 24 1
25 22 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 21 27 1
30 26 28 1
31 25 29 1
32 27 30 1
33 23 31 1
34 20 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 20 37 1
40 32 38 1
41 33 39 1
42 34 40 1
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