ATOM 22
1 C1y C 31.1455 -17.3569
2 C1y C 30.0070 -18.0109
3 C1z C 31.1510 -16.0495
4 C1x C 33.5426 -17.3850
5 C1y C 28.8742 -17.3400
6 C1x C 30.0070 -19.3238
7 C1x C 30.0296 -15.3843
8 C1y C 32.2951 -15.4068
9 C1a C 31.1455 -14.6013
10 C1x C 33.5617 -16.0775
11 C8y C 27.7300 -17.9995
12 C1y C 28.8156 -16.0323
13 C1x C 28.8628 -19.9720
14 O1a O 32.2896 -13.8183
15 C8y C 27.7245 -19.3125
16 C8x C 26.5916 -17.3400
17 C8x C 26.5916 -19.9664
18 C8x C 25.3913 -17.9995
19 C8y C 25.3835 -19.3125
20 O1a O 24.2339 -20.0577
21 C1b C 27.6278 -15.2859
22 X Cl 26.4468 -16.0467
BOND 25
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 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 1 #Up
14 11 15 2
15 11 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 7 12 1
20 8 10 1
21 13 15 1
22 18 19 1
23 19 20 1
24 12 21 1 #Up
25 21 22 1
|