ATOM 21
1 C8y C 31.4909 -15.1939
2 N5x N 31.5203 -16.5806
3 N5x N 30.3188 -14.4684
4 C8x C 30.2318 -17.2364
5 N5x N 29.0304 -15.1183
6 C8y C 29.0596 -16.4994
7 C2b C 27.8468 -17.1552
8 C2b C 26.6340 -16.4297
9 C8y C 25.5025 -17.1724
10 O2x O 25.0615 -18.5187
11 C8x C 24.3534 -16.3427
12 C8y C 23.6573 -18.5187
13 C8x C 23.2162 -17.1724
14 N2b N 22.8273 -19.6618 #+
15 O3a O 21.4289 -19.5110
16 O3a O 23.4018 -20.9443 #-
17 N1c N 32.7042 -14.5411
18 C1b C 33.9029 -15.2827
19 C1b C 32.6765 -13.1204
20 O1a O 33.9679 -12.4629
21 O1a O 35.1474 -14.6135
BOND 22
1 1 2 2
2 1 3 1
3 2 4 1
4 3 5 2
5 4 6 2
6 6 7 1
7 7 8 2
8 8 9 1
9 9 10 1
10 9 11 2
11 10 12 1
12 11 13 1
13 12 14 1
14 14 15 2
15 14 16 1
16 5 6 1
17 12 13 2
18 1 17 1
19 17 18 1
20 17 19 1
21 19 20 1
22 18 21 1
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