ATOM 24
1 C8y C 36.3426 -24.3703
2 C8y C 36.3426 -25.7710
3 C8x C 37.5556 -26.4713
4 C8y C 38.7687 -25.7710
5 C8y C 38.7687 -24.3703
6 C8x C 37.5556 -23.6700
7 O7x O 39.9816 -26.4713
8 C8y C 41.1946 -25.7710
9 C8x C 41.1946 -24.3703
10 C8x C 39.9816 -23.6700
11 C1x C 35.0105 -23.9375
12 C1y C 34.1872 -25.0707
13 O2x O 35.0105 -26.2038
14 O6a O 42.3928 -26.4628
15 C1d C 32.7710 -25.0707
16 O7a O 31.3710 -25.0707
17 C7a C 30.6637 -23.8455
18 C1a C 32.7710 -23.6707
19 C1a C 32.7710 -26.4707
20 C2c C 29.2602 -23.8454
21 C1a C 28.5493 -25.0762
22 C2b C 28.5709 -22.6514
23 C1a C 27.1603 -22.6511
24 O6a O 31.3523 -22.6532
BOND 26
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 5 10 1
12 1 11 1
13 11 12 1
14 12 13 1
15 2 13 1
16 8 14 2
17 12 15 1 #Down
18 15 16 1
19 16 17 1
20 15 18 1
21 15 19 1
22 17 20 1
23 20 21 1
24 20 22 2
25 22 23 1
26 17 24 2
|