ATOM 21
1 C8x C 21.8412 -16.9956
2 C8x C 21.8412 -18.3982
3 C8x C 23.0597 -19.1030
4 C8x C 23.0597 -16.2979
5 C8y C 24.2711 -16.9956
6 C8y C 24.2650 -18.3982
7 N4y N 25.4775 -19.1081
8 C8y C 25.4896 -16.3032
9 O5x O 25.4777 -14.8956
10 C1a C 25.4637 -20.5053
11 C8y C 26.7020 -17.0060
12 C8y C 26.6894 -18.4048
13 C8x C 27.8954 -19.1187
14 C8y C 29.1070 -18.4266
15 C8y C 29.1197 -17.0278
16 C8y C 27.9206 -16.3211
17 O1a O 27.9091 -14.9167
18 O2a O 30.3336 -16.3402
19 C1a C 31.5387 -17.0450
20 O2a O 30.3054 -19.1382
21 C1a C 31.5245 -18.4476
BOND 23
1 4 1 2
2 7 10 1
3 1 2 1
4 2 3 2
5 3 6 1
6 5 6 2
7 6 7 1
8 11 12 2
9 12 13 1
10 13 14 2
11 14 15 1
12 15 16 2
13 16 11 1
14 7 12 1
15 16 17 1
16 11 8 1
17 15 18 1
18 8 5 1
19 18 19 1
20 5 4 1
21 14 20 1
22 8 9 2
23 20 21 1
|