ATOM 19
1 C8y C 25.0964 -19.6214
2 C8x C 25.0964 -20.9730
3 C8x C 26.2697 -21.6488
4 C8y C 27.4362 -20.9730
5 C8y C 27.4362 -19.6214
6 C8y C 26.2697 -18.9456
7 C1z C 28.6051 -18.9481
8 C2x C 29.7751 -19.6249
9 C2x C 30.9462 -18.9499
10 C1y C 30.9472 -17.5983
11 C1x C 29.7771 -16.9217
12 C1y C 28.6061 -17.5965
13 O2x O 26.7347 -17.3007
14 C1x C 28.6072 -21.6480
15 C1x C 28.5982 -20.2972
16 C1x C 29.5538 -21.2530
17 N1x N 29.2740 -22.8093
18 O1a O 23.9262 -18.9452
19 O1a O 32.1182 -16.9234
BOND 22
1 8 9 2
2 9 10 1
3 10 11 1
4 11 12 1
5 12 7 1
6 5 7 1
7 6 1 1
8 12 13 1
9 6 13 1
10 4 14 1
11 1 2 2
12 7 15 1 #Down
13 2 3 1
14 15 16 1
15 3 4 2
16 14 17 1
17 16 17 1
18 4 5 1
19 1 18 1
20 5 6 2
21 10 19 1 #Up
22 7 8 1
|