ATOM 12
1 C8x C 25.0109 -18.1609
2 C8x C 25.0109 -19.5619
3 C8x C 26.2282 -20.2589
4 C8x C 26.2282 -17.4568
5 C8y C 27.4384 -18.1609
6 C8y C 27.4323 -19.5619
7 C8y C 28.6366 -20.2641
8 C8y C 29.9239 -19.5722
9 C8x C 29.8600 -18.1712
10 N4x N 28.6486 -17.4620
11 O1a O 31.0653 -20.2744
12 O5x O 28.6307 -21.6651
BOND 13
1 2 3 1
2 3 6 2
3 5 4 2
4 4 1 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 2
9 9 10 1
10 10 5 1
11 8 11 1
12 1 2 2
13 7 12 2
|