ATOM 37
1 C8x C 25.4272 -14.4279
2 C8x C 24.2316 -15.1241
3 C8x C 24.2370 -16.5114
4 C8x C 26.6353 -15.1195
5 C8y C 26.6371 -16.5009
6 C8y C 25.4345 -17.1986
7 N4x N 25.7312 -18.5530
8 C8y C 27.1100 -18.6866
9 C8y C 27.6673 -17.4194
10 C1y C 29.1317 -20.3190
11 C1y C 29.1317 -21.7039
12 C2x C 30.3392 -22.4035
13 C2y C 31.5325 -21.7039
14 C1x C 31.5325 -20.3190
15 C1z C 30.3392 -19.6265
16 C8x C 23.2800 -21.4566
17 C8x C 23.2800 -22.8417
18 C8x C 24.4806 -23.5342
19 C8x C 24.4806 -20.7640
20 C8y C 25.6810 -21.4566
21 C8y C 25.6825 -22.8427
22 N1x N 27.0004 -23.2669
23 C1z C 26.9979 -21.0225
24 C1z C 27.8214 -22.1504
25 C1y C 27.8138 -19.8958
26 C1b C 28.8554 -16.7292
27 C1b C 30.0568 -17.4075
28 N1c N 31.2510 -16.7220
29 C1a C 32.4453 -17.4004
30 C1a C 31.2438 -15.3371
31 C1x C 28.3819 -21.0184
32 N1y N 28.5022 -23.3362
33 C1x C 29.8377 -22.9759
34 C1a C 28.4950 -24.7285
35 C1a C 32.7278 -22.4035
36 C1a C 29.9829 -18.2151
37 C1a C 31.3146 -18.5042
BOND 43
1 20 19 1
2 19 16 2
3 9 5 1
4 4 1 2
5 20 21 2
6 21 22 1
7 22 24 1
8 23 20 1
9 1 2 1
10 2 3 2
11 3 6 1
12 23 24 1
13 24 11 1
14 10 25 1
15 25 23 1
16 25 8 1
17 5 4 1
18 9 26 1
19 10 11 1
20 26 27 1
21 11 12 1
22 27 28 1
23 12 13 2
24 28 29 1
25 13 14 1
26 28 30 1
27 14 15 1
28 23 31 1 #Up
29 15 10 1
30 24 32 1 #Up
31 5 6 2
32 32 33 1
33 31 33 1
34 6 7 1
35 32 34 1
36 7 8 1
37 13 35 1
38 8 9 2
39 16 17 1
40 15 36 1
41 17 18 2
42 15 37 1
43 18 21 1
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