ATOM 15
1 C8y C 9.5200 -17.1500
2 C8y C 9.5200 -18.5500
3 C8y C 10.7324 -19.2500
4 N5x N 11.9449 -18.5500
5 C8y C 11.9449 -17.1500
6 N5x N 10.7324 -16.4500
7 O1a O 10.7324 -20.6498
8 N1c N 13.1760 -16.4390
9 C1a C 14.3812 -17.1347
10 C1a C 13.1757 -15.0501
11 C1a C 8.3076 -16.4500
12 C1b C 8.3076 -19.2500
13 C1b C 7.0951 -18.5500
14 C1b C 5.8827 -19.2500
15 C1a C 4.6703 -18.5500
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 3 7 1
8 5 8 1
9 8 9 1
10 8 10 1
11 1 11 1
12 2 12 1
13 12 13 1
14 13 14 1
15 14 15 1
|