ATOM 31
1 C1x C 21.8983 -20.1208
2 C1y C 21.8983 -21.4986
3 C1x C 23.0915 -22.1876
4 C1y C 24.2848 -21.4986
5 C1z C 24.2848 -20.1208
6 C1x C 23.0915 -19.4319
7 C1y C 25.4780 -22.1876
8 C1x C 26.6712 -21.4986
9 C1y C 26.6712 -20.1208
10 C1y C 25.4780 -19.4319
11 C1y C 27.8499 -19.4402
12 C1x C 25.4780 -18.0540
13 C1y C 27.8499 -18.0624
14 C1x C 29.0431 -20.1292
15 C1x C 30.2364 -19.4402
16 C1y C 30.2364 -18.0624
17 C1y C 29.0431 -17.3735
18 C1z C 31.4296 -17.3735
19 C1y C 31.4296 -15.9956
20 N1y N 30.2364 -15.3067
21 C1x C 29.0431 -15.9956
22 C1x C 32.6228 -15.3067
23 C1x C 32.6228 -13.9288
24 C1y C 31.4296 -13.2399
25 C1x C 30.2364 -13.9288
26 C1a C 31.4298 -11.8539
27 O1a O 32.6011 -18.0499
28 C1a C 32.6228 -16.6845
29 C1a C 24.2848 -18.7429
30 O1a O 20.7050 -22.1876
31 O1a O 25.4780 -23.5654
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 10 12 1
14 11 13 1
15 12 13 1
16 11 14 1
17 14 15 1
18 15 16 1
19 16 17 1
20 13 17 1
21 16 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 17 21 1
26 19 22 1
27 22 23 1
28 23 24 1
29 24 25 1
30 20 25 1
31 24 26 1 #Up
32 18 27 1 #Up
33 18 28 1 #Down
34 5 29 1 #Up
35 2 30 1 #Up
36 7 31 1 #Down
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