ATOM 25
1 C2y C 19.9289 -17.1060
2 C1x C 18.7047 -17.7881
3 C2x C 21.1297 -17.8114
4 C2b C 19.9347 -15.7070
5 C1y C 18.6930 -19.1930
6 C2y C 21.1181 -19.2104
7 C2b C 18.6580 -15.0017
8 N1x N 19.9056 -19.9042
9 C6a C 17.4748 -19.8866
10 C6a C 22.3190 -19.9275
11 N2y N 18.7164 -13.5910 #+
12 O6a O 16.2739 -19.1697
13 O6a O 17.5272 -21.2856
14 O6a O 22.3014 -21.3265
15 O6a O 23.5374 -19.2337
16 C1x C 19.5383 -12.4601
17 C1x C 18.7164 -11.3294
18 C8y C 17.3872 -11.7665
19 C8x C 16.1806 -11.0611
20 C8y C 17.3872 -13.1595
21 C8y C 14.9681 -11.7665
22 C8x C 16.1806 -13.8650
23 C8y C 14.9681 -13.1655
24 O1a O 13.7498 -11.0611
25 O1a O 13.7498 -13.8591
BOND 27
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 1
8 5 9 1 #Down
9 6 10 1
10 7 11 2
11 9 12 1
12 9 13 2
13 10 14 2
14 10 15 1
15 11 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 18 20 2
20 19 21 2
21 20 22 1
22 21 23 1
23 21 24 1
24 23 25 1
25 6 8 1
26 22 23 2
27 11 20 1
|