ATOM 17
1 C1y C 26.8436 -15.5508
2 C2y C 25.9883 -16.6653
3 O7x O 28.1755 -16.0190
4 C1x C 26.5216 -14.1866
5 C2y C 26.7839 -17.8273
6 C1x C 24.5782 -16.6714
7 C7x C 28.1331 -17.4292
8 C2y C 25.2546 -13.5945
9 C1a C 26.3256 -19.1447
10 C2x C 23.6883 -15.5910
11 O6a O 29.2381 -18.2776
12 C2x C 23.9881 -14.2221
13 C1a C 25.2374 -12.2035
14 C2y C 22.3138 -15.7307
15 C1x C 22.7796 -13.5291
16 C1x C 21.7406 -14.4635
17 C1a C 21.6209 -16.9393
BOND 18
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 1
10 7 11 2
11 8 12 2
12 8 13 1
13 10 14 2
14 12 15 1
15 14 16 1
16 14 17 1
17 5 7 1
18 15 16 1
|