ATOM 24
1 C1y C 22.7075 -16.6328
2 C1y C 21.5417 -15.9648
3 C1y C 23.8797 -15.9526
4 C1x C 22.6891 -18.0295
5 C1z C 20.3818 -16.6450
6 C1x C 21.5295 -14.6105
7 C1z C 23.8856 -14.5984
8 C1x C 26.2237 -15.9586
9 C1x C 21.5477 -18.6489
10 C1y C 20.3818 -17.9809
11 C1x C 19.2401 -15.9891
12 C1a C 20.3636 -15.0173
13 C1x C 22.7015 -13.9304
14 C1y C 25.0577 -13.9244
15 C1a C 23.8855 -12.9863
16 C1x C 26.2237 -14.6105
17 O7x O 19.2218 -18.6550
18 C1x C 18.0803 -16.6450
19 C7x C 18.0803 -17.9809
20 O6a O 16.8452 -18.6859
21 O7a O 25.0647 -12.5300
22 C7a C 26.2771 -11.8381
23 C1a C 27.4622 -12.5304
24 O6a O 26.2844 -10.4304
BOND 27
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1 #Up
15 8 16 1
16 10 17 1
17 11 18 1
18 17 19 1
19 7 13 1
20 9 10 1
21 14 16 1
22 18 19 1
23 19 20 2
24 14 21 1 #Up
25 21 22 1
26 22 23 1
27 22 24 2
|