ATOM 30
1 C2y C 34.6457 -21.0673
2 C2y C 34.6457 -22.4671
3 C1x C 35.8579 -23.1670
4 C1x C 37.0702 -22.4671
5 C1x C 37.0702 -21.0673
6 C1z C 35.8579 -20.3674
7 C1b C 33.4335 -20.3674
8 C1b C 32.2211 -21.0673
9 C2c C 31.0089 -20.3674
10 C2b C 29.7967 -21.0673
11 C1b C 28.5844 -20.3674
12 C1b C 27.3722 -21.0673
13 C2y C 26.1600 -20.3674
14 C1a C 33.4335 -23.1670
15 C1a C 36.5578 -19.1552
16 C1a C 34.8681 -19.3777
17 C1a C 31.0089 -18.9677
18 C2x C 26.1600 -18.9678
19 C1x C 24.9477 -18.2679
20 C1y C 23.7355 -18.9678
21 O2x O 23.7355 -20.3674
22 C1y C 24.9477 -21.0673
23 C2y C 22.5172 -18.2644
24 C1y C 22.3715 -16.8779
25 O7x O 21.0080 -16.5879
26 C7x C 20.3108 -17.7951
27 C2x C 21.2435 -18.8313
28 O1a O 23.4311 -15.9238
29 O6a O 18.9079 -17.8027
30 O1a O 24.9477 -22.4668
BOND 32
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 1
13 12 13 1
14 2 14 1
15 6 15 1
16 6 16 1
17 9 17 1
18 13 18 2
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 13 22 1
24 20 23 1 #Up
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 23 27 2
30 24 28 1 #Up
31 26 29 2
32 22 30 1 #Down
|