ATOM 17
1 C8y C 25.3524 -15.9835
2 C8y C 24.1435 -16.7020
3 C8y C 25.3466 -14.5936
4 C8y C 26.5613 -16.6727
5 C8y C 22.8588 -16.0186
6 O2a O 24.1611 -18.1036
7 C8x C 24.1201 -13.8928
8 O2x O 26.5496 -13.8870
9 C8x C 27.7702 -15.9719
10 O5x O 26.4972 -18.0802
11 C8y C 22.9229 -14.6170
12 C8x C 21.5973 -16.4508
13 C1a C 22.9580 -18.8276
14 C8y C 27.7644 -14.5819
15 O2x O 21.5856 -14.1849
16 C8x C 20.7679 -15.3237
17 C1a C 28.9732 -13.8696
BOND 19
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 1
14 11 15 1
15 12 16 2
16 14 17 1
17 7 11 2
18 9 14 2
19 15 16 1
|