ATOM 16
1 C1y C 31.9400 -24.0736
2 C1y C 31.9340 -25.4621
3 C5x C 30.6215 -23.6535
4 C1b C 33.3459 -22.8309
5 C1x C 30.6389 -25.8880
6 C1b C 33.1300 -26.1446
7 C1x C 29.8163 -24.7794
8 O5x O 30.1723 -22.3059
9 C2b C 34.5361 -23.5310
10 C7a C 34.3202 -25.4621
11 C2b C 35.9013 -23.5310
12 O7a O 35.5103 -26.1446
13 C1b C 37.0856 -22.8309
14 C1a C 38.2640 -23.5136
15 O6a O 34.3135 -24.2595
16 C1a C 36.7171 -25.4433
BOND 16
1 1 3 1
2 1 4 1 #Up
3 2 5 1
4 2 6 1 #Up
5 3 7 1
6 3 8 2
7 4 9 1
8 6 10 1
9 9 11 2
10 10 12 1
11 11 13 1
12 13 14 1
13 5 7 1
14 10 15 2
15 1 2 1
16 12 16 1
|