ATOM 21
1 C8x C 21.7225 -19.1962
2 C8x C 21.7225 -20.5976
3 C8x C 22.9361 -21.2983
4 C8y C 24.1499 -20.5976
5 C8y C 24.1499 -19.1962
6 C8y C 22.9361 -18.4955
7 C2x C 25.3635 -21.2983
8 C2y C 26.5771 -20.5976
9 C2y C 26.5771 -19.1962
10 C5x C 25.3635 -18.4955
11 C1x C 27.7909 -21.2983
12 C1y C 29.0045 -20.5976
13 O2x O 29.0045 -19.1962
14 C2y C 27.7909 -18.4955
15 C1a C 27.7909 -17.0943
16 O5x O 25.3635 -17.0940
17 O1a O 22.9361 -17.0942
18 C1b C 30.2222 -21.3006
19 C6a C 31.4210 -20.6084
20 O6a O 32.6085 -21.2940
21 O6a O 31.4211 -19.1965
BOND 23
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 9 14 2
17 14 15 1
18 10 16 2
19 6 17 1
20 12 18 1 #Up
21 18 19 1
22 19 20 1
23 19 21 2
|