ATOM 13
1 C8y C 29.1347 -17.6790
2 C8x C 29.1238 -19.0839
3 N5x N 27.9215 -16.9761
4 C6a C 30.3524 -16.9947
5 C8x C 27.9002 -19.7799
6 C8x C 26.7036 -17.6604
7 O6a O 31.5595 -17.6974
8 O6a O 30.3688 -15.5898
9 C8y C 26.6929 -19.0655
10 C1b C 25.4808 -19.7498
11 C1b C 24.2794 -19.0411
12 C1b C 23.0617 -19.7257
13 C1a C 21.8604 -19.0109
BOND 13
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 1
7 4 8 2
8 5 9 2
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 6 9 1
|