ATOM 20
1 C1y C 29.3048 -18.8820
2 C1z C 30.1171 -17.7307
3 C5a C 27.9197 -18.8762
4 N2x N 30.1462 -20.0040
5 C1x C 31.4612 -18.1515
6 C2b C 29.4216 -16.5093
7 C1a C 30.8067 -16.5036
8 C8y C 27.2244 -20.0859
9 O5a O 27.2067 -17.6548
10 C2y C 31.4086 -19.5541
11 C2a C 28.0250 -16.5093
12 C8y C 25.8977 -20.5124
13 C8x C 28.0366 -21.2137
14 C1a C 32.6065 -20.3604
15 C8y C 25.8977 -21.9091
16 C8x C 24.6940 -19.8112
17 N4x N 27.2184 -22.3473
18 C8x C 24.6940 -22.6220
19 C8x C 23.4726 -20.5124
20 C8x C 23.4726 -21.9150
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 2 7 1 #Down
7 3 8 1
8 3 9 2
9 4 10 2
10 6 11 2
11 8 12 1
12 8 13 2
13 10 14 1
14 12 15 2
15 12 16 1
16 13 17 1
17 15 18 1
18 16 19 2
19 18 20 2
20 5 10 1
21 15 17 1
22 19 20 1
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