ATOM 12
1 N4y N 28.5779 -18.9991
2 C8y C 29.7414 -19.7942
3 C8x C 27.4728 -19.8527
4 C7a C 28.5662 -17.5958
5 N4y N 29.3321 -21.1390
6 S0 S 31.0571 -19.3266
7 C8x C 27.9347 -21.1684
8 O7a O 27.3441 -16.9116
9 O6a O 29.7708 -16.8882
10 C1a C 30.2558 -22.4600
11 C1b C 26.1397 -17.6250
12 C1a C 24.9234 -16.9350
BOND 12
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 2
7 4 8 1
8 4 9 2
9 5 10 1
10 8 11 1
11 11 12 1
12 5 7 1
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