ATOM 22
1 C8y C 14.6300 -17.9900
2 C8x C 14.6300 -19.3900
3 C8x C 15.8424 -20.0900
4 C8y C 17.0549 -19.3900
5 C8y C 17.0549 -17.9900
6 N4x N 15.8424 -17.2900
7 C6a C 13.4176 -17.2900
8 O6a O 12.2221 -17.9804
9 O6a O 13.4175 -15.8902
10 O5x O 18.2860 -17.2790
11 C1y C 18.2860 -20.1010
12 C1x C 18.7341 -21.4266
13 N1x N 20.1340 -21.4109
14 C1y C 20.5518 -20.0747
15 C1y C 19.4101 -19.2645
16 C6a C 21.8988 -19.6200
17 C1b C 19.3943 -17.0100
18 C6a C 20.6024 -16.3100
19 O6a O 21.8149 -17.0100
20 O6a O 20.6014 -14.9102
21 O6a O 22.9461 -20.5415
22 O6a O 21.8889 -18.2801
BOND 23
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 7 9 2
10 5 10 2
11 11 4 1 #Down
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 11 15 1
17 14 16 1 #Up
18 15 17 1 #Down
19 17 18 1
20 18 19 1
21 18 20 2
22 16 21 1
23 16 22 2
|