ATOM 29
1 C8y C 13.7200 -16.1000
2 C8y C 13.7200 -17.5000
3 C8x C 14.9324 -18.2000
4 C8y C 16.1449 -17.5000
5 C8y C 16.1449 -16.1000
6 C8x C 14.9324 -15.4000
7 N2b N 12.5076 -15.4000 #+
8 N1a N 12.5076 -18.2000
9 O2a O 17.3760 -18.2110
10 C1b C 18.5812 -17.5153
11 C1a C 19.7635 -18.1981
12 C5a C 17.3760 -15.3890
13 N1b N 18.5812 -16.0847
14 C1y C 19.7635 -15.4019
15 C1x C 20.9575 -16.0912
16 C1x C 22.1699 -15.3912
17 N1y N 22.1699 -13.9912
18 C1x C 20.9760 -13.3019
19 C1x C 19.7635 -14.0019
20 C1b C 23.3934 -13.2846
21 C1y C 24.6024 -13.9825
22 C1x C 24.6029 -15.3996
23 C1x C 25.8155 -16.0992
24 C2x C 27.0277 -15.3988
25 C2x C 27.0272 -13.9817
26 C1x C 25.8146 -13.2821
27 O3a O 11.0321 -16.1604 #-
28 O3a O 12.5075 -14.0002
29 O5a O 17.3757 -14.0001
BOND 31
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 2 8 1
9 4 9 1
10 9 10 1
11 10 11 1
12 5 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 14 19 1
21 17 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 2
27 25 26 1
28 21 26 1
29 7 27 1
30 7 28 2
31 12 29 2
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