ATOM 29
1 C1y C 18.6782 -14.0373
2 C8y C 17.4845 -13.3351
3 N1y N 19.8719 -13.3351
4 C8y C 17.4845 -11.9307
5 C8x C 16.2908 -14.0373
6 C1x C 19.8719 -11.9307
7 C1x C 18.6782 -11.2286
8 C8x C 16.2908 -11.2286
9 C8y C 15.0269 -13.3351
10 C8y C 15.0269 -11.9307
11 O1a O 13.8332 -14.0373
12 O1a O 13.8332 -11.2286
13 C1y C 19.8719 -18.4610
14 C1y C 19.8719 -17.1269
15 C1y C 21.0656 -19.1632
16 C2b C 18.6782 -19.1632
17 C2y C 21.0656 -16.4247
18 C1b C 18.6782 -16.4247
19 O1a O 21.0656 -20.7080
20 O2x O 22.2593 -18.4610
21 C2a C 17.5547 -18.4610
22 C2x C 22.2593 -17.1269
23 C7a C 21.0656 -15.0905
24 O7a O 22.1891 -14.3884
25 O6a O 19.8719 -14.3884
26 C1a C 23.3828 -15.0905
27 C5a C 21.0656 -12.6329
28 C1a C 22.2593 -13.2649
29 O5a O 21.1358 -11.2988
BOND 31
1 1 3 1
2 2 4 2
3 2 5 1
4 3 6 1
5 4 7 1
6 4 8 1
7 5 9 2
8 8 10 2
9 9 11 1
10 10 12 1
11 6 7 1
12 9 10 1
13 13 14 1
14 13 15 1
15 13 16 1
16 14 17 1
17 14 18 1
18 15 19 1 #Up
19 15 20 1
20 16 21 2
21 17 22 2
22 17 23 1
23 23 24 1
24 23 25 2
25 24 26 1
26 20 22 1
27 18 1 1
28 3 27 1
29 1 2 1
30 27 28 1
31 27 29 2
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