ATOM 22
1 C1y C 27.3341 -15.6495
2 C1y C 26.0060 -16.0051
3 C1y C 28.0502 -14.4743
4 C2y C 28.0779 -16.8028
5 C2x C 24.6107 -15.7149
6 O7x O 26.0131 -17.3729
7 O1a O 29.3710 -14.8417
8 C1x C 28.0559 -13.1007
9 C7x C 27.2232 -17.8614
10 C2a C 29.5149 -16.8234
11 C2y C 23.2883 -14.4626
12 C2y C 26.8560 -12.4024
13 O6a O 27.5778 -19.1883
14 C1y C 23.2883 -13.0890
15 C1a C 22.0196 -15.0503
16 C2x C 25.6692 -13.0890
17 C1a C 26.8619 -11.0288
18 C1x C 24.4881 -12.3965
19 O7a O 22.0101 -12.1373
20 C7a C 20.8443 -12.8616
21 C1a C 19.6620 -12.1748
22 O6a O 20.8384 -14.0252
BOND 23
1 2 5 1
2 2 6 1
3 3 7 1 #Up
4 3 8 1
5 4 9 1
6 4 10 2
7 5 11 2
8 8 12 1
9 9 13 2
10 11 14 1
11 11 15 1
12 12 16 2
13 12 17 1
14 14 18 1
15 6 9 1
16 16 18 1
17 14 19 1 #Down
18 1 2 1
19 1 3 1
20 1 4 1
21 19 20 1
22 20 21 1
23 20 22 2
|