ATOM 23
1 C1y C 20.6156 -12.9272
2 C1y C 20.6156 -14.2969
3 O2x O 21.7970 -12.2424
4 C1b C 19.4285 -12.2424
5 C1y C 21.7970 -14.9818
6 O2a O 19.1546 -15.2556
7 C1y C 22.9897 -12.9272
8 O1a O 18.3898 -13.1328
9 C1y C 22.9897 -14.2969
10 O1a O 21.7970 -16.3514
11 O1a O 24.1711 -12.2424
12 O1a O 24.1711 -14.9818
13 C1y C 15.3440 -16.2134
14 C1y C 15.3440 -17.5832
15 O2x O 16.5254 -15.5286
16 C1b C 14.1569 -15.5286
17 C1y C 16.5254 -18.2680
18 O1a O 14.1569 -18.2680
19 C1y C 17.7181 -16.2134
20 O1a O 13.1182 -16.4190
21 C1y C 17.7181 -17.5832
22 O1a O 16.5254 -19.6376
23 O1a O 18.8995 -18.2680
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 7 11 1 #Either
11 9 12 1 #Down
12 7 9 1
13 13 14 1
14 13 15 1
15 13 16 1 #Up
16 14 17 1
17 14 18 1 #Down
18 15 19 1
19 16 20 1
20 17 21 1
21 17 22 1 #Up
22 21 23 1 #Down
23 19 21 1
24 19 6 1 #Up
|