ATOM 25
1 C1y C 27.7102 -19.0467
2 C1y C 28.5636 -17.9321
3 C1y C 26.3027 -19.0648
4 C2y C 28.1663 -20.3770
5 C1x C 28.2327 -16.5645
6 O7a O 29.8393 -18.4862
7 C2x C 25.4097 -18.1217
8 O7x O 25.8861 -20.4139
9 C7x C 27.0368 -21.2221
10 C2a C 29.4978 -20.7956
11 C2y C 26.9601 -15.9867
12 C7a C 31.0511 -17.8076
13 C2y C 24.0227 -18.1328
14 O6a O 26.9903 -22.6232
15 C2x C 25.7016 -16.6170
16 C1b C 26.9310 -14.5865
17 C1c C 32.2498 -18.5187
18 O6a O 31.0698 -16.4067
19 C1x C 23.4498 -16.8623
20 C1b C 23.3328 -19.3472
21 C1x C 24.4866 -15.9214
22 O1a O 28.1270 -13.8690
23 C1a C 33.4675 -17.8400
24 C1a C 32.3010 -19.9194
25 O1a O 24.0342 -20.5568
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 6 12 1
12 7 13 2
13 9 14 2
14 11 15 2
15 11 16 1
16 12 17 1
17 12 18 2
18 13 19 1
19 13 20 1
20 15 21 1
21 16 22 1
22 17 23 1
23 17 24 1
24 20 25 1
25 8 9 1
26 19 21 1
|