ATOM 16
1 C1y C 18.9755 -16.5933
2 N4y N 20.3063 -16.1719
3 O2x O 17.7852 -15.7531
4 C1x C 18.5554 -17.9236
5 C8y C 21.4691 -16.9265
6 C8x C 20.3032 -14.8125
7 C1y C 16.6650 -16.5933
8 C1y C 17.0851 -17.9236
9 N5x N 22.7527 -16.2387
10 O5x O 21.4722 -18.2860
11 C8y C 21.5169 -14.1246
12 C1b C 15.3347 -16.1732
13 O1a O 16.6650 -19.2538
14 C8x C 22.7482 -14.8647
15 O1a O 14.2845 -17.0834
16 X I 21.4648 -12.7244
BOND 17
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 2
11 7 12 1 #Up
12 8 13 1 #Down
13 9 14 2
14 12 15 1
15 7 8 1
16 11 14 1
17 11 16 1
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