ATOM 16
1 C1y C 32.1300 -17.9200
2 C1y C 32.1300 -16.5200
3 C1y C 30.8000 -16.1000
4 C1x C 30.0300 -17.2200
5 O2x O 30.8000 -18.3400
6 C1y C 33.4600 -18.3400
7 C1x C 34.3000 -17.2200
8 O2x O 33.4600 -16.1000
9 O2a O 33.8800 -19.6700
10 O2a O 30.3800 -14.7700
11 N2b N 28.9800 -14.7700 #+
12 O3a O 28.2100 -13.5100 #-
13 O3a O 28.2800 -15.9600
14 N2b N 35.2800 -19.6700 #+
15 O3a O 35.9800 -20.8600 #-
16 O3a O 35.9800 -18.3400
BOND 17
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1
7 6 7 1
8 7 8 1
9 2 8 1
10 6 9 1 #Up
11 3 10 1 #Down
12 10 11 1
13 11 12 1
14 11 13 2
15 9 14 1
16 14 15 1
17 14 16 2
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