ATOM 21
1 C1y C 25.9636 -15.1960
2 C1y C 26.1850 -13.8028
3 C1y C 24.7452 -15.8781
4 C2y C 27.2226 -15.8372
5 O7x O 27.5840 -13.5871
6 C1x C 25.2524 -12.8993
7 C2x C 23.4395 -15.3476
8 O7a O 24.7336 -17.2712
9 C7x C 28.2193 -14.8462
10 C2a C 27.4324 -17.2188
11 C2y C 23.8533 -12.8585
12 C2y C 22.2852 -16.1345
13 C7a C 25.4331 -18.4779
14 O6a O 29.5950 -15.0619
15 C2x C 23.0488 -14.0126
16 C1a C 23.1655 -11.6402
17 C1x C 21.1835 -15.2835
18 C1a C 22.2445 -17.5277
19 C1a C 24.7393 -19.6788
20 O6a O 26.8262 -18.4721
21 C1x C 21.6498 -13.9719
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 4 10 2
10 6 11 1
11 7 12 2
12 8 13 1
13 9 14 2
14 11 15 2
15 11 16 1
16 12 17 1
17 12 18 1
18 13 19 1
19 13 20 2
20 15 21 1
21 5 9 1
22 17 21 1
|