ATOM 23
1 C1y C 22.6423 -16.5666
2 C1y C 21.2392 -16.5783
3 C1z C 21.9350 -15.3506
4 C7a C 23.8524 -15.8651
5 C2b C 20.0291 -15.8708
6 C1a C 21.2275 -14.1347
7 C1a C 22.6306 -14.1347
8 O7a O 25.0567 -16.5666
9 O6a O 23.8524 -14.4678
10 C2c C 18.8190 -16.5724
11 C1y C 26.2725 -15.8651
12 C1a C 17.6149 -15.8708
13 C1a C 18.8190 -17.9694
14 C2y C 27.6696 -15.8651
15 C1x C 25.8399 -14.5380
16 C2y C 28.1082 -14.5380
17 C1a C 28.4939 -16.9991
18 C5x C 26.9741 -13.7138
19 C1b C 29.3124 -13.8307
20 O5x O 26.9741 -12.3107
21 C2b C 30.5165 -14.5322
22 C2b C 31.7266 -13.8307
23 C1a C 31.7241 -12.4321
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1 #Up
5 3 6 1
6 3 7 1
7 4 8 1
8 4 9 2
9 5 10 2
10 11 8 1 #Up
11 10 12 1
12 10 13 1
13 11 14 1
14 11 15 1
15 14 16 2
16 14 17 1
17 15 18 1
18 16 19 1
19 18 20 2
20 19 21 1
21 21 22 2
22 2 3 1
23 16 18 1
24 22 23 1
|