ATOM 19
1 C1y C 25.4707 -19.8009
2 N1x N 26.6877 -20.5056
3 C1x C 25.4707 -18.3976
4 C6a C 24.2596 -20.5056
5 C2y C 27.8988 -19.8009
6 C2y C 26.6877 -17.7046
7 O6a O 23.0426 -19.8009
8 O6a O 24.2596 -21.9029
9 C2x C 27.8988 -18.3976
10 C6a C 29.1101 -20.5056
11 C2b C 26.6877 -16.3013
12 O6a O 29.1101 -21.9029
13 O6a O 30.3271 -19.8009
14 C2b C 25.4765 -15.5968
15 N2b N 25.4765 -14.1934
16 C1b C 26.6761 -13.4889
17 C6a C 27.8815 -14.1818
18 O6a O 29.0868 -13.4830
19 O6a O 27.8755 -15.5793
BOND 19
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 2
8 5 9 2
9 5 10 1
10 6 11 2
11 10 12 1
12 10 13 2
13 11 14 1
14 14 15 2
15 15 16 1
16 16 17 1
17 17 18 1
18 17 19 2
19 6 9 1
|