ATOM 37
1 C8y C 21.8715 -12.9327
2 C8x C 21.8655 -14.3314
3 O2a O 20.6599 -12.2303
4 C8x C 23.0828 -12.2303
5 C8y C 23.0771 -15.0338
6 C8y C 19.4484 -12.9327
7 C8x C 24.2944 -12.9327
8 C8x C 24.2944 -14.3314
9 C1c C 23.0771 -16.4327
10 C8x C 19.4484 -14.3314
11 C8x C 18.2368 -12.2303
12 C6a C 24.2886 -17.1351
13 C1a C 21.8655 -17.1291
14 C8x C 18.2368 -15.0338
15 C8x C 17.0253 -12.9327
16 O6a O 25.5002 -16.4327
17 O6a O 24.2886 -18.5338 #-
18 C8x C 17.0253 -14.3314
19 C8y C 31.0896 -12.8449
20 C8x C 31.0954 -14.2437
21 O2a O 32.3012 -12.1426
22 C8x C 29.8781 -12.1426
23 C8y C 29.8838 -14.9460
24 C8y C 33.5127 -12.8449
25 C8x C 28.6665 -12.8449
26 C8x C 28.6665 -14.2437
27 C1c C 29.8838 -16.3448
28 C8x C 33.5127 -14.2437
29 C8x C 34.7243 -12.1426
30 C6a C 28.6725 -17.0472
31 C1a C 31.0954 -17.0414
32 C8x C 34.7243 -14.9460
33 C8x C 35.9358 -12.8449
34 O6a O 27.4609 -16.3448
35 O6a O 28.6725 -18.4461 #-
36 C8x C 35.9358 -14.2437
37 Z Ca 25.7459 -19.9385 #2+
BOND 38
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 2
7 5 8 2
8 5 9 1
9 6 10 1
10 6 11 2
11 9 12 1
12 9 13 1
13 10 14 2
14 11 15 1
15 12 16 2
16 12 17 1
17 14 18 1
18 7 8 1
19 15 18 2
20 19 20 2
21 19 21 1
22 19 22 1
23 20 23 1
24 21 24 1
25 22 25 2
26 23 26 2
27 23 27 1
28 24 28 1
29 24 29 2
30 27 30 1
31 27 31 1
32 28 32 2
33 29 33 1
34 30 34 2
35 30 35 1
36 32 36 1
37 25 26 1
38 33 36 2
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