ATOM 36
1 C8x C 25.4309 -14.4004
2 C8x C 24.2354 -15.0964
3 C8x C 24.2408 -16.4836
4 C8x C 26.6387 -15.0918
5 C8y C 26.6406 -16.4731
6 C8y C 25.4382 -17.1707
7 N4x N 25.7347 -18.5248
8 C8y C 27.1133 -18.6585
9 C8y C 27.6776 -17.3914
10 C1y C 29.1419 -20.2975
11 C1y C 29.1419 -21.6823
12 C2x C 30.3490 -22.3747
13 C2y C 31.5422 -21.6823
14 C1x C 31.5422 -20.2975
15 C1z C 30.3490 -19.5980
16 C8x C 23.2911 -21.4280
17 C8x C 23.2911 -22.8129
18 C8x C 24.4843 -23.5050
19 C8x C 24.4843 -20.7355
20 C8y C 25.6845 -21.4280
21 C8y C 25.6861 -22.8139
22 N1x N 27.0038 -23.2449
23 C1z C 27.0012 -20.9939
24 C1z C 27.8247 -22.1217
25 C1y C 27.8170 -19.8673
26 C1b C 28.8656 -16.7013
27 C1b C 30.0597 -17.3796
28 N1b N 31.2536 -16.6942
29 C1a C 32.4477 -17.3725
30 C1x C 28.3851 -20.9898
31 N1y N 28.5053 -23.3143
32 C1x C 29.8406 -22.9470
33 C1a C 28.4982 -24.7062
34 C1a C 32.7302 -22.3747
35 C1a C 29.7758 -17.9770
36 C1a C 31.3172 -18.6161
BOND 42
1 18 21 1
2 20 19 1
3 19 16 2
4 9 5 1
5 4 1 2
6 20 21 2
7 21 22 1
8 22 24 1
9 23 20 1
10 1 2 1
11 2 3 2
12 3 6 1
13 23 24 1
14 24 11 1
15 10 25 1
16 25 23 1
17 25 8 1
18 5 4 1
19 9 26 1
20 10 11 1
21 26 27 1
22 11 12 1
23 27 28 1
24 12 13 2
25 28 29 1
26 13 14 1
27 23 30 1 #Up
28 14 15 1
29 24 31 1 #Up
30 15 10 1
31 31 32 1
32 30 32 1
33 5 6 2
34 31 33 1
35 6 7 1
36 13 34 1
37 7 8 1
38 8 9 2
39 15 35 1
40 16 17 1
41 15 36 1
42 17 18 2
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