ATOM 13
1 C8y C 21.4200 -15.2581
2 C1d C 21.4200 -16.6621
3 C8x C 20.2033 -14.5620
4 C8x C 22.6250 -14.5620
5 C1a C 20.2091 -17.3583
6 C1a C 22.6367 -17.2883
7 C8x C 20.2033 -13.1580
8 C8x C 22.6250 -13.1580
9 C8y C 21.4200 -12.4619
10 C6a C 21.4200 -11.0579
11 O6a O 22.6367 -10.3617
12 O6a O 20.2091 -10.3617
13 C1a C 21.4214 -18.0600
BOND 13
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 7 9 1
9 9 10 1
10 10 11 1
11 10 12 2
12 8 9 2
13 2 13 1
|