ATOM 17
1 C1z C 27.8949 -18.7017
2 C1y C 27.8949 -17.2953
3 C1x C 28.2508 -20.0495
4 C1x C 29.0618 -17.9488
5 C1y C 26.6871 -19.4019
6 C1x C 26.6871 -16.5951
7 C4a C 29.1144 -16.6011
8 C1y C 29.6454 -20.0495
9 C1x C 30.1414 -18.8183
10 C1x C 25.4676 -18.6958
11 C1a C 26.6871 -20.8081
12 C1y C 25.4676 -17.2953
13 O4a O 30.3280 -17.3013
14 C2c C 30.4098 -21.2981
15 O1a O 24.2540 -16.5951
16 C1a C 29.7680 -22.5526
17 C2a C 31.8102 -21.2982
BOND 18
1 1 2 1
2 1 3 1 #Up
3 1 4 1 #Down
4 1 5 1
5 2 6 1
6 2 7 1 #Down
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1 #Down
11 6 12 1
12 7 13 2
13 8 14 1 #Up
14 12 15 1 #Down
15 14 16 1
16 14 17 2
17 8 9 1
18 10 12 1
|