ATOM 22
1 C8x C 27.7324 -16.9024
2 C8x C 27.7324 -19.7055
3 C8y C 26.5290 -19.0083
4 C8y C 26.5349 -17.6067
5 O7x O 25.3232 -16.8974
6 C8y C 24.1056 -17.5964
7 C8y C 24.0997 -18.9980
8 C8y C 25.3114 -19.7002
9 C8y C 28.9499 -17.6067
10 C8x C 28.9499 -19.0083
11 O2b O 30.1646 -16.9024
12 P1a P 31.3792 -17.6067
13 O2b O 31.3789 -19.0083
14 C1b C 32.5933 -19.7058
15 C1a C 33.8081 -19.0089
16 O2b O 32.5942 -16.9028
17 C1b C 32.5980 -15.5151
18 C1a C 31.3867 -14.8250
19 S0 S 30.1684 -18.3111
20 C1a C 25.3230 -21.1068
21 X Cl 22.8934 -19.7055
22 O6a O 22.9005 -16.8955
BOND 23
1 9 10 1
2 12 11 1
3 11 9 1
4 2 10 2
5 3 4 2
6 4 5 1
7 5 6 1
8 12 13 1
9 13 14 1
10 14 15 1
11 16 12 1
12 6 7 1
13 16 17 1
14 7 8 2
15 17 18 1
16 8 3 1
17 12 19 2
18 9 1 2
19 8 20 1
20 1 4 1
21 7 21 1
22 3 2 1
23 6 22 2
|