ATOM 36
1 C1y C 20.4400 -16.3800
2 C1z C 20.4400 -17.7800
3 C1y C 21.6524 -18.4800
4 C1y C 22.8649 -17.7800
5 C1y C 22.8649 -16.3800
6 C1y C 21.6524 -15.6800
7 C1z C 24.0773 -15.6800
8 C1y C 24.0773 -14.2800
9 N1y N 22.8649 -13.5800
10 C1x C 21.6524 -14.2800
11 C1x C 19.1085 -15.9474
12 C1z C 18.2856 -17.0800
13 C1y C 19.1085 -18.2126
14 C1z C 16.8933 -17.2263
15 C1y C 16.3238 -18.5053
16 C1x C 17.1468 -19.6379
17 C1y C 18.5391 -19.4916
18 C1x C 16.0704 -16.0937
19 C1x C 14.6780 -16.2401
20 C1y C 14.1086 -17.5190
21 C1z C 14.9315 -18.6517
22 C1x C 25.2897 -13.5800
23 C1x C 25.2897 -12.1800
24 C1y C 24.0773 -11.4800
25 C1x C 22.8649 -12.1800
26 C1a C 24.0773 -10.0800
27 O1a O 25.2773 -16.5999
28 O1a O 24.0960 -18.4910
29 C1a C 17.5933 -16.0139
30 O1a O 13.5315 -19.3517
31 O1a O 12.7494 -17.6615
32 C1a C 25.2897 -14.9800
33 O1a O 21.6524 -19.8798
34 O1a O 20.4400 -19.1800
35 O1a O 19.3509 -20.6083
36 O2x O 14.5692 -21.9640
BOND 42
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
8 7 8 1
9 8 9 1
10 9 10 1
11 6 10 1
12 1 11 1
13 11 12 1
14 12 13 1
15 2 13 1
16 12 14 1
17 14 15 1
18 15 16 1
19 16 17 1
20 13 17 1
21 14 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 15 21 1
26 8 22 1
27 22 23 1
28 23 24 1
29 24 25 1
30 9 25 1
31 24 26 1 #Up
32 7 27 1 #Up
33 4 28 1 #Up
34 14 29 1 #Up
35 21 30 1 #Up
36 20 31 1 #Up
37 7 32 1 #Down
38 3 33 1 #Down
39 2 34 1 #Down
40 17 35 1 #Down
41 21 36 1 #Down
42 12 36 1 #Down
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