ATOM 28
1 C1z C 30.6404 -12.9078
2 C1x C 29.4068 -12.2086
3 C1x C 30.6441 -14.3018
4 C5x C 28.2251 -12.9483
5 C5x C 29.4160 -15.0433
6 N1y N 28.2289 -14.3424
7 O5x O 26.9915 -12.2493
8 O5x O 29.4181 -16.3909
9 C1b C 27.0455 -15.0358
10 C1b C 25.8120 -14.3366
11 C1b C 24.6286 -15.0299
12 C1b C 23.3951 -14.3309
13 N1y N 22.2136 -15.0707
14 C1x C 20.9800 -14.3715
15 C1x C 22.2173 -16.4646
16 C1x C 19.7966 -15.0648
17 C1x C 20.9876 -17.1596
18 N1y N 19.8004 -16.4589
19 C8y C 18.5707 -17.1539
20 N5x N 17.3836 -16.4531
21 N5x N 18.5279 -18.5479
22 C8x C 16.0841 -17.1481
23 C8x C 17.3446 -19.2412
24 C8x C 16.1110 -18.5405
25 C1x C 31.9678 -13.3391
26 C1x C 32.7876 -12.2098
27 C1x C 31.9670 -11.0811
28 C1x C 30.6399 -11.5128
BOND 31
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 4 7 2
7 5 8 2
8 6 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 16 18 1
18 18 19 1
19 19 20 1
20 19 21 2
21 20 22 2
22 21 23 1
23 22 24 1
24 5 6 1
25 17 18 1
26 23 24 2
27 1 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 1 28 1
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