ATOM 23
1 C8x C 16.8000 -20.6500
2 C8y C 16.8000 -22.0500
3 C8x C 18.0124 -22.7500
4 C8x C 19.2249 -22.0500
5 C8y C 19.2249 -20.6500
6 C8x C 18.0124 -19.9500
7 C6a C 15.5876 -22.7500
8 O6a O 14.3921 -22.0596
9 O6a O 15.5875 -24.1498
10 C1b C 20.4624 -19.9500
11 C1y C 21.6749 -20.6500
12 C1x C 21.6749 -22.0498
13 C1x C 22.8873 -22.7498
14 C1y C 24.0997 -22.0498
15 C1y C 24.0997 -20.6500
16 C1x C 22.8873 -19.9500
17 C1x C 25.3122 -22.7498
18 N1x N 26.5246 -22.0498
19 C1y C 26.5246 -20.6500
20 C1x C 25.3122 -19.9500
21 C6a C 27.7424 -19.9500
22 O6a O 28.9549 -20.6500
23 O6a O 27.7438 -18.5502
BOND 25
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 7 8 1
9 7 9 2
10 5 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 11 16 1
18 14 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 15 20 1
23 19 21 1
24 21 22 1
25 21 23 2
|