ATOM 13
1 C1x C 14.6204 -17.4788
2 S2x S 15.0296 -18.8177
3 C1x C 16.4294 -18.8423
4 C1y C 16.8853 -17.5186
5 N1y N 15.7673 -16.6759
6 C6a C 18.2152 -17.1120
7 C7a C 15.7673 -15.2759
8 O6a O 16.9735 -14.5794
9 O7a O 14.5349 -14.5646
10 C1b C 13.3434 -15.2528
11 C1a C 12.1540 -14.5663
12 O6a O 19.2152 -18.0441
13 O6a O 18.5366 -15.7211
BOND 13
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 1 #Down
7 5 7 1
8 7 8 2
9 7 9 1
10 9 10 1
11 10 11 1
12 6 12 1
13 6 13 2
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