ATOM 21
1 C8y C 27.8233 -19.9328
2 C2y C 28.9526 -19.2250
3 C8y C 27.7591 -21.3077
4 C8x C 26.6181 -19.2484
5 C1y C 30.2628 -19.9328
6 C2x C 29.0050 -17.7684
7 C8x C 26.6415 -22.0098
8 C5x C 29.0343 -21.9980
9 C8y C 25.4247 -19.9505
10 N1x N 30.2277 -21.3018
11 C1y C 31.4972 -19.2074
12 C1y C 30.2394 -17.0663
13 C8y C 25.4364 -21.3252
14 O5x O 29.0343 -23.4196
15 O2x O 24.1143 -19.5350
16 C1y C 31.4855 -17.7684
17 O1a O 32.7374 -19.9036
18 O1a O 30.2160 -15.6623
19 O2x O 24.1318 -21.7582
20 C1x C 23.3186 -20.6525
21 O1a O 32.7140 -17.0370
BOND 24
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 1
11 6 12 1
12 7 13 2
13 8 14 2
14 9 15 1
15 11 16 1
16 11 17 1 #Up
17 12 18 1 #Down
18 13 19 1
19 15 20 1
20 16 21 1 #Up
21 8 10 1
22 9 13 1
23 12 16 1
24 19 20 1
|