ATOM 31
1 C5a C 26.4900 -21.9427
2 C1b C 26.4910 -23.1539
3 O5a O 27.5911 -21.1260
4 N1c N 25.1968 -23.9518
5 C5x C 26.8506 -18.8031
6 N1x N 28.0188 -19.4716
7 C1y C 29.1871 -18.7960
8 C1c C 30.3554 -19.4645
9 C1b C 31.5236 -18.7889
10 C8x C 25.4569 -14.5486
11 C8y C 25.4569 -15.8999
12 C8x C 26.6313 -16.5755
13 C8x C 27.7988 -15.8999
14 C8y C 27.7988 -14.5486
15 C8x C 26.6313 -13.8730
16 C2x C 28.9708 -13.9440
17 O2x O 24.4955 -16.7862
18 C2x C 30.3688 -14.8461
19 N1x N 30.3661 -16.7856
20 C5x C 29.1840 -17.4447
21 O5x O 26.8476 -17.4518
22 O5x O 28.0166 -16.7620
23 C1y C 25.6721 -19.4756
24 C1y C 24.5095 -18.7951
25 C1x C 23.5002 -19.6895
26 C1x C 24.0430 -20.9259
27 N1y N 25.3823 -20.9294
28 C1a C 30.3584 -20.8158
29 C1a C 32.6961 -19.4631
30 C1a C 25.2063 -25.2950
31 C1a C 23.9571 -23.4032
BOND 33
1 8 9 1
2 16 18 2
3 23 5 1
4 18 19 1
5 1 3 2
6 7 20 1
7 20 19 1
8 5 6 1
9 5 21 2
10 1 2 1
11 20 22 2
12 6 7 1
13 2 4 1
14 10 11 1
15 11 12 2
16 12 13 1
17 23 24 1
18 24 25 1
19 25 26 1
20 26 27 1
21 27 23 1
22 17 24 1
23 27 1 1
24 13 14 2
25 14 15 1
26 15 10 2
27 7 8 1
28 8 28 1 #Down
29 14 16 1
30 9 29 1
31 4 30 1
32 11 17 1
33 4 31 1
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