ATOM 15
1 C1y C 26.4600 -5.5300
2 C1y C 25.2700 -6.2300
3 C2x C 24.0800 -5.5300
4 C2y C 24.0800 -4.1300
5 C1x C 25.2700 -3.4300
6 C1x C 26.4600 -4.1300
7 C1z C 26.4600 -6.9300
8 C1a C 22.8200 -3.4300
9 C1a C 25.4800 -7.9800
10 C1b C 27.6500 -7.6300
11 C1b C 28.8400 -6.9300
12 C2b C 30.0300 -7.6300
13 C2c C 31.2200 -6.9300
14 C1a C 32.4100 -7.6300
15 C1a C 31.2200 -5.5300
BOND 16
1 1 2 1
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 2 7 1
9 4 8 1
10 7 9 1 #Down
11 7 10 1
12 10 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 13 15 1
|