ATOM 9
1 C1y C 28.7293 -24.9739
2 C1x C 28.7293 -26.3731
3 S3x S 29.9451 -27.0692
4 S3x S 31.1537 -26.3731
5 S3x S 31.1537 -24.9739
6 C1x C 29.9451 -24.2706
7 N1c N 27.5169 -24.2700
8 C1a C 27.5176 -22.8707
9 C1a C 26.3038 -24.9725
BOND 9
1 3 4 1
2 4 5 1
3 5 6 1
4 6 1 1
5 1 7 1
6 1 2 1
7 7 8 1
8 2 3 1
9 7 9 1
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