ATOM 23
1 C8y C 17.9899 -15.8200
2 C1z C 16.7999 -16.4499
3 C8y C 19.1799 -16.5199
4 C8y C 17.9899 -14.4200
5 C1y C 16.7999 -17.8499
6 C1x C 15.6100 -15.8200
7 C1a C 16.7999 -14.9800
8 C8x C 20.3699 -15.8200
9 C5x C 19.1799 -17.8499
10 C8y C 19.1799 -13.7200
11 C1z C 15.6100 -18.5499
12 C1x C 17.9899 -18.5499
13 C1x C 14.4200 -16.4499
14 C8y C 20.3699 -14.4200
15 O1a O 19.1799 -12.3200
16 C1x C 14.4200 -17.8499
17 C1a C 14.7700 -19.9499
18 C1a C 16.3099 -20.0199
19 C1c C 21.6300 -13.7200
20 C1a C 22.8200 -14.4200
21 C1a C 21.6300 -12.3900
22 O5x O 20.4399 -18.5499
23 O1a O 16.7775 -13.7200
BOND 25
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 3 9 1
9 4 10 2
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 2
14 10 15 1
15 11 16 1
16 11 17 1
17 11 18 1
18 14 19 1
19 19 20 1
20 19 21 1
21 9 12 1
22 10 14 1
23 13 16 1
24 9 22 2
25 4 23 1
|