ATOM 21
1 C8y C 23.1665 -20.2599
2 C8x C 24.3917 -21.0192
3 C8x C 25.6143 -20.3370
4 C8y C 25.6457 -18.9568
5 C8x C 24.4205 -18.1975
6 C8x C 23.1979 -18.8797
7 C8y C 26.8683 -18.2746
8 N5x N 28.0594 -18.9728
9 N4y N 29.2820 -18.2906
10 C8y C 29.2434 -16.9104
11 C8x C 28.0882 -16.1511
12 C8x C 26.8657 -16.8333
13 C1b C 30.4731 -18.9887
14 C1b C 31.6957 -18.3066
15 C1b C 32.9209 -19.0658
16 C6a C 34.1434 -18.3837
17 O6a O 35.3345 -19.0818
18 O2a O 21.9439 -20.9421
19 N2a N 30.5360 -16.2282
20 O6a O 34.1408 -16.9423
21 C1a C 20.7528 -20.2439
BOND 22
1 9 10 1
2 10 11 1
3 11 12 2
4 12 7 1
5 4 7 1
6 6 1 1
7 9 13 1
8 13 14 1
9 1 2 2
10 14 15 1
11 2 3 1
12 15 16 1
13 3 4 2
14 16 17 1
15 4 5 1
16 1 18 1
17 5 6 2
18 10 19 2
19 7 8 2
20 16 20 2
21 8 9 1
22 18 21 1
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