ATOM 21
1 C1d C 29.5777 -19.5665
2 C8y C 27.8323 -19.5724
3 C8y C 29.5777 -20.8461
4 C8y C 29.5838 -18.3105
5 C8y C 27.1483 -18.3686
6 C8x C 27.1246 -20.7814
7 C8x C 28.3808 -21.5362
8 C8x C 30.7749 -21.5362
9 C8x C 30.8221 -17.6028
10 C8x C 28.3571 -17.6028
11 C8x C 25.7446 -18.3342
12 X Cl 27.1311 -17.0721
13 C8x C 25.7153 -20.7753
14 C8x C 28.3808 -22.9161
15 C8x C 30.7749 -22.9161
16 C8x C 30.8163 -16.1758
17 C8x C 28.3513 -16.1815
18 C8x C 25.0254 -19.5428
19 C8x C 29.5777 -23.6060
20 C8x C 29.5777 -15.4682
21 O1a O 30.9684 -19.5699
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
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 5 12 1
12 6 13 2
13 7 14 2
14 8 15 1
15 9 16 1
16 10 17 2
17 11 18 2
18 14 19 1
19 16 20 2
20 13 18 1
21 15 19 2
22 17 20 1
23 1 21 1
|