ATOM 18
1 C1y C 24.7679 -27.3221
2 C1y C 25.9896 -28.0183
3 C1y C 23.5651 -28.0310
4 C1x C 24.7552 -25.9104
5 C1y C 27.2050 -27.3094
6 C1x C 25.9958 -29.4235
7 C1y C 23.5651 -29.4173
8 C1x C 22.3562 -27.3410
9 C1x C 25.9769 -25.2015
10 C1y C 27.2112 -25.8978
11 C1x C 24.7805 -30.1198
12 C1x C 22.3562 -30.1262
13 C1x C 21.1661 -28.0310
14 C1y C 21.1661 -29.4173
15 O1a O 19.9698 -30.1009
16 C1x C 29.6298 -27.3201
17 C1x C 29.6360 -25.9084
18 C1x C 28.4267 -25.2031
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 12 14 1
14 14 15 1
15 7 11 1
16 9 10 1
17 13 14 1
18 5 16 1
19 16 17 1
20 17 18 1
21 10 18 1
|