ATOM 33
1 C1d C 23.6905 -18.1341
2 C8y C 22.9897 -16.9203
3 O1a O 22.9897 -19.3481
4 C6a C 20.8871 -18.1341
5 O6a O 21.5881 -19.3481
6 C8y C 21.5881 -16.9203
7 C1b C 19.9415 -14.8810
8 C8y C 18.7241 -15.5757
9 N4y N 21.1519 -15.5880
10 N5x N 23.4261 -15.5880
11 C8y C 22.2889 -14.7610
12 C8x C 17.5161 -14.8662
13 C8x C 16.2987 -15.5608
14 C8y C 16.2915 -16.9624
15 C8x C 17.5019 -17.6695
16 C8x C 18.7194 -16.9748
17 C8y C 15.0741 -17.6571
18 C8y C 13.8678 -16.9449
19 C8x C 12.6505 -17.6397
20 C8x C 12.7134 -19.0414
21 C8x C 13.8537 -19.7483
22 C8x C 15.0711 -19.0536
23 C8y C 13.8784 -15.5433
24 N5x N 15.0210 -14.7250
25 N5x N 14.5978 -13.3888
26 N5x N 13.1962 -13.3786
27 N4x N 12.7531 -14.7082
28 C1a C 24.6746 -17.1325
29 C1a C 24.6746 -19.1219
30 O6a O 19.4855 -18.1341
31 C1b C 22.2889 -13.3594
32 C1b C 21.0750 -12.6585
33 C1a C 19.8609 -13.3594
BOND 36
1 12 13 1
2 13 14 2
3 14 15 1
4 15 16 2
5 16 8 1
6 4 6 1
7 14 17 1
8 7 8 1
9 7 9 1
10 17 18 2
11 18 19 1
12 19 20 2
13 20 21 1
14 21 22 2
15 22 17 1
16 1 2 1
17 18 23 1
18 2 10 1
19 10 11 2
20 11 9 1
21 23 24 2
22 24 25 1
23 25 26 2
24 26 27 1
25 27 23 1
26 9 6 1
27 6 2 2
28 1 28 1
29 1 3 1
30 1 29 1
31 4 30 2
32 4 5 1
33 11 31 1
34 31 32 1
35 8 12 2
36 32 33 1
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