ATOM 15
1 C8y C 32.7942 -25.8579
2 C8x C 32.7942 -27.2602
3 C8x C 34.0086 -27.9614
4 C8y C 35.2231 -27.2602
5 C8x C 35.2231 -25.8579
6 C8y C 34.0086 -25.1567
7 O1a O 34.0086 -23.7546
8 O2a O 31.5798 -25.1567
9 C1a C 30.3823 -25.8483
10 C1b C 36.3999 -27.9492
11 C1b C 37.5032 -27.2811
12 N1d N 38.9031 -27.3002 #+
13 C1a C 40.3199 -27.3196
14 C1a C 38.9031 -25.9002
15 C1a C 38.9031 -28.7002
BOND 15
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 1 8 1
9 8 9 1
10 4 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 12 14 1
15 12 15 1
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