ATOM 15
1 C1y C 27.9889 -16.1909
2 C1y C 27.9889 -17.5805
3 C1y C 29.1824 -15.5026
4 N1b N 26.8014 -15.4320
5 C5x C 29.1824 -18.2814
6 O1a O 26.8014 -18.4025
7 C1y C 30.3887 -16.1909
8 O1a O 29.1762 -14.3438
9 C1y C 30.3887 -17.5805
10 O5x O 29.1762 -19.6581
11 O1a O 31.5761 -15.5026
12 O1a O 31.5761 -18.2625
13 C2c C 25.5976 -16.1000
14 N1a N 24.3851 -15.4000
15 N2a N 25.5856 -17.4996
BOND 15
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 1 #Down
8 5 9 1
9 5 10 2
10 7 11 1 #Up
11 9 12 1 #Down
12 7 9 1
13 4 13 1
14 13 14 1
15 13 15 2
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