ATOM 21
1 C1y C 27.3106 -17.3783
2 N1y N 26.1039 -18.0779
3 C1b C 28.5174 -18.0662
4 C1x C 27.3106 -15.9790
5 C1y C 24.8853 -17.3783
6 C1a C 26.0863 -19.4772
7 C5a C 29.7243 -17.3725
8 C2x C 26.1039 -15.2736
9 C2x C 24.8853 -15.9790
10 C1b C 23.6725 -18.0779
11 C8y C 30.9371 -18.0605
12 O5a O 29.7186 -15.9673
13 C1c C 22.4599 -17.3783
14 C8x C 30.9255 -19.4655
15 C8x C 32.1557 -17.3725
16 C1b C 21.2471 -18.0779
17 O1a O 22.4540 -15.9790
18 C8x C 32.1381 -20.1768
19 C8x C 33.3626 -18.0722
20 C1a C 20.0461 -17.3783
21 C8x C 33.3566 -19.4772
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 4 8 1
8 5 9 1
9 5 10 1
10 7 11 1
11 7 12 2
12 10 13 1
13 11 14 2
14 11 15 1
15 13 16 1
16 13 17 1
17 14 18 1
18 15 19 2
19 16 20 1
20 18 21 2
21 8 9 2
22 19 21 1
|