ATOM 17
1 C1z C 23.3991 -14.5345
2 C1y C 23.3931 -15.9384
3 C1x C 22.1890 -13.8478
4 C1a C 23.3815 -13.1424
5 C1x C 24.5973 -16.6439
6 C1z C 22.1890 -16.6382
7 C1x C 20.9791 -14.5345
8 C1x C 25.8073 -15.9501
9 C1x C 20.9791 -15.9384
10 C1a C 21.4718 -17.9880
11 C1a C 22.8917 -18.0652
12 C2y C 24.6020 -13.8591
13 C2y C 25.8190 -14.5521
14 C7x C 26.8562 -13.6143
15 O7x O 26.2794 -12.3311
16 C1x C 24.8849 -12.4850
17 O6a O 28.2731 -13.9060
BOND 19
1 2 6 1
2 3 7 1
3 13 8 1
4 6 9 1
5 6 10 1
6 6 11 1
7 5 8 1
8 7 9 1
9 1 12 1
10 1 2 1
11 1 3 1
12 1 4 1 #Up
13 12 13 2
14 13 14 1
15 14 15 1
16 15 16 1
17 16 12 1
18 2 5 1
19 14 17 2
|