ATOM 29
1 C1y C 26.0039 -16.2768
2 C8y C 24.8067 -15.5702
3 C1y C 27.2188 -15.5876
4 C8y C 26.0039 -17.6605
5 C8y C 24.8126 -14.1863
6 C8x C 23.6152 -16.2708
7 C1y C 27.2188 -14.1922
8 C7x C 28.5315 -16.0202
9 C8x C 24.7893 -18.3380
10 C8x C 27.2012 -18.3496
11 C1y C 26.0156 -13.4973
12 C8x C 23.6152 -13.4914
13 C8y C 22.4191 -15.5702
14 C1x C 28.5372 -13.7783
15 O7x O 29.3616 -14.8986
16 O6a O 28.9583 -17.3457
17 C8y C 24.7833 -19.7217
18 C8y C 27.2595 -19.7392
19 O1a O 25.9990 -11.7517
20 C8y C 22.4250 -14.1806
21 O2x O 21.0876 -15.9970
22 C8y C 25.9865 -20.4282
23 O2a O 23.5685 -20.4108
24 O2a O 28.3858 -20.4456
25 O2x O 21.0935 -13.7609
26 C1x C 20.2764 -14.8753
27 O1a O 25.9749 -21.8179
28 C1a C 22.3724 -19.7043
29 C1a C 29.5947 -19.7509
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 7 14 1
14 8 15 1
15 8 16 2
16 9 17 1
17 10 18 2
18 11 19 1 #Down
19 12 20 2
20 13 21 1
21 17 22 2
22 17 23 1
23 18 24 1
24 20 25 1
25 21 26 1
26 22 27 1
27 23 28 1
28 24 29 1
29 7 11 1
30 13 20 1
31 14 15 1
32 18 22 1
33 25 26 1
|