ATOM 25
1 C1x C 12.5750 -15.0059
2 C1x C 12.5750 -16.3953
3 C1x C 13.7560 -17.0900
4 C2y C 15.0064 -16.3953
5 C2y C 15.0064 -15.0059
6 C1z C 13.7560 -14.3112
7 C2b C 16.1874 -14.3112
8 C2b C 17.3684 -15.0059
9 C2c C 18.6188 -14.3112
10 C2b C 19.7998 -15.0059
11 C1a C 16.1874 -17.0900
12 C1a C 14.4507 -13.1302
13 C1a C 13.0613 -13.1302
14 C7a C 18.6188 -12.9218
15 O2a O 19.7998 -16.3953
16 C2x C 21.4671 -18.5488
17 C2y C 22.8564 -18.5488
18 C7x C 23.2733 -17.2289
19 O7x O 22.1618 -16.3953
20 C1y C 21.0502 -17.2289
21 O6a O 24.5932 -16.8121
22 C1a C 23.6206 -19.6603
23 O7a O 19.7998 -12.2271
24 O6a O 17.3684 -12.2271
25 C1a C 21.1476 -13.1204
BOND 26
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 4 11 1
12 6 12 1
13 6 13 1
14 9 14 1
15 10 15 1
16 16 17 2
17 17 18 1
18 18 19 1
19 19 20 1
20 16 20 1
21 20 15 1 #Down
22 18 21 2
23 17 22 1
24 14 23 1
25 14 24 2
26 23 25 1
| 
