ATOM 30
1 C8y C 17.4357 -16.8873
2 C8y C 17.4473 -15.4874
3 C5x C 18.6431 -17.5931
4 C8y C 16.2223 -17.5814
5 C1x C 18.6663 -14.7932
6 C8y C 16.2340 -14.7758
7 C1z C 19.8563 -16.9048
8 O5x O 18.6314 -18.9930
9 C8y C 15.0149 -16.8757
10 O1a O 16.2107 -18.9696
11 C1y C 19.8737 -15.5048
12 C8y C 14.9508 -15.4757
13 C1a C 16.2457 -13.3699
14 C5x C 21.0520 -17.6164
15 O1a O 19.8387 -18.2988
16 C8y C 13.8075 -17.5756
17 C1y C 21.0870 -14.8225
18 C8x C 13.8075 -14.7699
19 C2y C 22.2710 -16.9398
20 O5x O 21.0987 -19.0221
21 C8x C 12.5885 -16.8757
22 O1a O 13.8075 -18.9754
23 C2y C 22.2885 -15.5399
24 N1b N 21.0811 -13.4226
25 C8x C 12.5885 -15.4757
26 C5a C 23.4785 -17.6572
27 O1a O 23.5192 -14.8575
28 N1a N 24.7033 -16.9748
29 O5a O 23.4551 -19.0571
30 C1a C 19.8650 -12.7273
BOND 33
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 4 10 1
10 5 11 1
11 6 12 2
12 6 13 1
13 7 14 1
14 7 15 1 #Down
15 9 16 1
16 11 17 1
17 12 18 1
18 14 19 1
19 14 20 2
20 16 21 2
21 16 22 1
22 17 23 1
23 17 24 1 #Down
24 18 25 2
25 19 26 1
26 23 27 1
27 26 28 1
28 26 29 2
29 7 11 1
30 9 12 1
31 19 23 2
32 21 25 1
33 24 30 1
|