ATOM 21
1 C8y C 23.5050 -16.9112
2 C8y C 23.5109 -15.5131
3 C8y C 24.7168 -17.6162
4 C8y C 22.3049 -17.6103
5 O2x O 24.7285 -14.8140
6 C8x C 22.3049 -14.8081
7 C8y C 25.9285 -16.9228
8 O5x O 24.7109 -19.0144
9 C8x C 21.0873 -16.9112
10 O1a O 22.3049 -19.0085
11 C8x C 25.9342 -15.5189
12 C8y C 21.0873 -15.5131
13 C8y C 27.1402 -17.6219
14 O1a O 19.8697 -14.8081
15 C8x C 28.3520 -16.9287
16 C8x C 27.1285 -19.0260
17 C8y C 29.5580 -17.6336
18 C8x C 28.3345 -19.7309
19 C8y C 29.5521 -19.0318
20 O1a O 30.7756 -16.9404
21 O1a O 30.7639 -19.7425
BOND 23
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 7 13 1
13 12 14 1
14 13 15 1
15 13 16 2
16 15 17 2
17 16 18 1
18 17 19 1
19 17 20 1
20 19 21 1
21 7 11 2
22 9 12 1
23 18 19 2
|