ATOM 31
1 C1x C 13.7780 -18.9474
2 C1y C 13.7780 -20.3460
3 C1y C 14.9892 -21.0453
4 C1y C 16.2004 -20.3460
5 C1y C 16.2004 -18.9474
6 O2x O 14.9892 -18.2481
7 O2a O 17.4303 -18.2372
8 C1y C 18.6416 -17.5379
9 C1y C 19.8812 -18.2536
10 C1x C 21.0924 -17.5545
11 C1y C 21.0926 -16.1557
12 C1y C 19.8531 -15.4401
13 C1y C 18.6418 -16.1391
14 O1a O 17.4303 -21.0563
15 N1a N 14.9892 -22.4439
16 N1a N 19.9510 -19.6466
17 O1a O 17.4589 -15.4560
18 N1a N 22.3273 -15.4430
19 O2a O 19.8533 -14.0523
20 C1y C 21.0711 -13.3495
21 O2x O 22.2685 -14.0411
22 C1y C 23.4798 -13.3422
23 C1y C 23.4801 -11.9435
24 C1y C 22.2829 -11.2518
25 C1y C 21.0714 -11.9507
26 C1b C 24.7095 -14.0524
27 N1a N 19.8466 -11.2431
28 O1a O 12.5984 -21.0266
29 O1a O 22.2832 -9.8763
30 O1a O 24.6707 -11.2570
31 O1a O 24.7089 -15.4795
BOND 33
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 5 7 1 #Down
8 8 7 1 #Down
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 4 14 1 #Down
16 3 15 1 #Up
17 9 16 1 #Up
18 13 17 1 #Up
19 11 18 1 #Up
20 12 19 1 #Down
21 20 19 1 #Down
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 20 25 1
28 22 26 1 #Up
29 25 27 1 #Down
30 2 28 1 #Down
31 24 29 1 #Up
32 23 30 1 #Down
33 26 31 1
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