ATOM 13
1 C1y C 21.7000 -16.4500
2 C1x C 22.1200 -14.9800
3 C1x C 23.4500 -14.9800
4 O7x O 23.9400 -16.3100
5 C7x C 22.8900 -17.1500
6 C1b C 18.1300 -17.0800
7 C5a C 19.3200 -16.3800
8 N1b N 20.5100 -17.1500
9 O6a O 22.8900 -18.5500
10 O5a O 19.3200 -14.9800
11 C1c C 16.9119 -16.3899
12 C1a C 15.7305 -17.0850
13 C1a C 16.9002 -14.9806
BOND 13
1 3 4 1
2 4 5 1
3 5 1 1
4 6 7 1
5 7 8 1
6 1 8 1 #Up
7 1 2 1
8 5 9 2
9 7 10 2
10 2 3 1
11 6 11 1
12 11 12 1
13 11 13 1
|