ATOM 31
1 C1x C 13.7786 -18.9482
2 C1y C 13.7786 -20.3468
3 C5x C 14.9898 -21.0462
4 C1y C 16.2011 -20.3468
5 C1y C 16.2011 -18.9482
6 O2x O 14.9898 -18.2489
7 O2a O 17.4310 -18.2379
8 C1y C 18.6424 -17.5386
9 C1y C 19.8820 -18.2544
10 C1x C 21.0933 -17.5552
11 C1y C 21.0935 -16.1564
12 C1y C 19.8539 -15.4407
13 C1y C 18.6426 -16.1398
14 O1a O 17.4310 -21.0572
15 O5x O 14.9898 -22.4448
16 N1a N 19.9518 -19.6474
17 O1a O 17.4596 -15.4566
18 N1a N 22.3282 -15.4436
19 O2a O 19.8541 -14.0529
20 C1y C 21.0720 -13.3500
21 O2x O 22.2694 -14.0417
22 C1y C 23.4808 -13.3427
23 C1y C 23.4811 -11.9440
24 C1y C 22.2838 -11.2523
25 C1y C 21.0723 -11.9512
26 C1b C 24.7105 -14.0530
27 N1a N 19.8474 -11.2436
28 O1a O 12.5989 -21.0275
29 O1a O 22.2841 -9.8767
30 O1a O 24.6717 -11.2575
31 O1a O 24.7099 -15.4801
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 2
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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