ATOM 19
1 C1c C 18.6059 -16.8291
2 C1b C 17.3984 -16.1318
3 N1b N 18.5993 -18.2303
4 C6a C 19.8131 -16.1255
5 C1b C 16.1910 -16.8357
6 C5a C 19.8066 -18.9341
7 O6a O 21.0270 -16.8164
8 O6a O 19.8066 -14.7180
9 C1c C 14.9771 -16.1384
10 C1a C 21.0205 -18.2303
11 O5a O 19.8002 -20.3352
12 C5a C 13.7698 -16.8420
13 C6a C 12.5625 -16.1448
14 O5a O 13.7634 -18.2497
15 O6a O 11.3486 -16.8486
16 O6a O 12.5496 -14.7438
17 C6a C 14.9728 -14.7700
18 O6a O 13.7636 -14.0768
19 O6a O 16.1885 -14.0632
BOND 18
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 2
8 5 9 1
9 6 10 1
10 6 11 2
11 9 12 1
12 12 13 1
13 12 14 2
14 13 15 1
15 13 16 2
16 9 17 1
17 17 18 2
18 17 19 1
|