ATOM 16
1 C1y C 31.3947 -21.1230
2 C1y C 33.3513 -22.2526
3 C1z C 34.0035 -21.1230
4 C1x C 33.3513 -19.9934
5 C1x C 32.0469 -19.9934
6 C1y C 31.3947 -23.3824
7 C5x C 32.0469 -24.5120
8 C1x C 33.3513 -24.5120
9 C1x C 34.0035 -23.3824
10 C1x C 30.0903 -23.3824
11 C1z C 30.0903 -21.1230
12 O5x O 31.3936 -25.6436
13 O2x O 34.6557 -22.2526
14 C1a C 35.1332 -20.4708
15 C1a C 29.1680 -20.2007
16 C1a C 28.8303 -21.4606
BOND 18
1 2 3 1
2 3 4 1
3 4 5 1
4 1 5 1
5 6 7 1
6 7 8 1
7 8 9 1
8 2 9 1
9 1 6 1
10 6 10 1
11 1 11 1
12 10 11 1
13 7 12 2
14 3 13 1 #Up
15 2 13 1 #Down
16 3 14 1 #Down
17 11 15 1
18 11 16 1
|