ATOM 33
1 C1y C 21.2850 -20.2390
2 C1y C 21.2850 -21.6396
3 C1y C 22.4979 -22.3399
4 O2x O 23.7110 -21.6396
5 C1y C 23.7110 -20.2390
6 C1y C 22.4979 -19.5387
7 O1a O 20.0721 -19.5387
8 C1b C 22.4979 -23.7403
9 O1a O 20.0721 -22.3399
10 O1a O 22.4979 -18.1382
11 O2a O 24.9426 -19.5277
12 C1y C 24.9426 -18.1270
13 O1a O 21.2682 -24.4505
14 C1y C 26.1388 -17.4364
15 C1y C 26.1388 -16.0358
16 C2x C 24.9259 -15.3355
17 C2x C 23.7297 -16.0261
18 O2x O 23.7297 -17.4267
19 C2y C 27.4709 -17.8692
20 C2x C 28.2942 -16.7361
21 C1y C 27.4709 -15.6030
22 C1b C 28.6606 -18.5582
23 O7a O 29.8737 -17.8579
24 C7a C 31.0866 -18.5582
25 C8y C 32.2995 -17.8579
26 C8x C 33.4977 -18.5497
27 C8x C 34.7107 -17.8495
28 C8y C 34.7108 -16.4489
29 C8x C 33.5128 -15.7571
30 C8x C 32.2997 -16.4573
31 O6a O 31.0866 -19.9588
32 O1a O 35.9351 -15.7420
33 O1a O 27.8981 -14.2871
BOND 36
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1 #Down
8 3 8 1 #Down
9 2 9 1 #Up
10 6 10 1 #Up
11 5 11 1
12 12 11 1 #Down
13 8 13 1
14 12 14 1
15 14 15 1
16 15 16 1
17 16 17 2
18 17 18 1
19 12 18 1
20 14 19 1
21 19 20 2
22 20 21 1
23 15 21 1
24 19 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 25 30 1
34 24 31 2
35 28 32 1
36 21 33 1 #Down
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