ATOM 17
1 C8x C 20.2501 -14.6584
2 C8y C 20.2501 -13.2572
3 C8x C 19.0338 -12.5567
4 C8x C 17.8246 -13.2572
5 C8y C 17.8246 -14.6584
6 C8x C 19.0338 -15.3589
7 N2b N 21.4631 -12.5562 #+
8 O3a O 22.6769 -13.2560
9 O3a O 21.4624 -11.1550 #-
10 O2b O 16.6106 -15.3581
11 P1b P 15.4028 -14.6584
12 O2b O 14.1927 -15.3520
13 O3b O 16.6199 -13.9649
14 C1b C 14.1927 -13.9578
15 C1b C 12.9784 -14.6570
16 C1a C 14.1944 -12.5567
17 C1a C 11.7677 -15.3621
BOND 17
1 2 3 1
2 7 9 1
3 3 4 2
4 5 10 1
5 4 5 1
6 10 11 1
7 5 6 2
8 11 12 1
9 12 15 1
10 6 1 1
11 11 13 2
12 11 14 1
13 2 7 1
14 1 2 2
15 14 16 1
16 7 8 2
17 15 17 1
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