ATOM 23
1 C8x C 13.0900 -16.7300
2 C8y C 13.0900 -18.1300
3 C8x C 14.3024 -18.8300
4 C8x C 15.5149 -18.1300
5 C8y C 15.5149 -16.7300
6 C8x C 14.3024 -16.0300
7 O2b O 16.7524 -16.0300
8 P1b P 17.9649 -16.7300
9 O2b O 19.1773 -17.4300
10 C8y C 20.3918 -16.7288
11 C8x C 21.5883 -17.4198
12 C8x C 22.8008 -16.7199
13 C8y C 22.8009 -15.3199
14 C8x C 21.6044 -14.6290
15 C8x C 20.3919 -15.3288
16 N2b N 11.8776 -18.8300 #+
17 N2b N 24.0232 -14.6142 #+
18 O3a O 10.6821 -18.1396 #-
19 O3a O 11.8775 -20.2298
20 O3a O 25.2324 -15.3124 #-
21 O3a O 24.0231 -13.2301
22 O1c O 18.6709 -15.3667
23 O1c O 17.2714 -17.9315
BOND 24
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 10 15 1
17 2 16 1
18 13 17 1
19 16 18 1
20 16 19 2
21 17 20 1
22 17 21 2
23 8 22 2
24 8 23 1
|