ATOM 28
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 -17.9595
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 C2y C 20.3818 -17.9809
10 C1x C 19.2401 -15.9891
11 C1a C 20.3636 -15.0173
12 C1x C 22.7015 -13.9304
13 C1y C 25.0577 -13.9244
14 C1a C 23.8855 -12.9863
15 C1x C 26.2237 -14.6105
16 C2x C 19.2218 -18.6550
17 C1x C 18.0803 -16.6450
18 C5x C 18.0803 -17.9809
19 O5x O 16.8452 -18.6859
20 O7a O 25.0647 -12.5300
21 C7a C 26.2771 -11.8381
22 C8y C 27.4622 -12.5304
23 O6a O 26.2844 -10.4304
24 C8x C 27.4550 -13.9299
25 C8x C 28.6639 -14.6361
26 C8x C 29.8799 -13.9423
27 C8x C 29.8870 -12.5428
28 C8x C 28.6782 -11.8366
BOND 32
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 5 9 1
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1
13 7 14 1 #Up
14 8 15 1
15 9 16 2
16 10 17 1
17 16 18 1
18 7 12 1
19 13 15 1
20 17 18 1
21 18 19 2
22 13 20 1 #Up
23 20 21 1
24 21 22 1
25 21 23 2
26 22 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 22 28 1
32 9 4 1
|