ATOM 23
1 C8y C 24.3418 -20.5618
2 C8y C 24.3359 -21.9596
3 N5x N 25.5592 -19.8628
4 C8y C 23.1362 -19.8571
5 N5x N 25.5475 -22.6643
6 N5x N 23.1362 -22.6586
7 C8y C 26.7706 -20.5734
8 N5x N 21.9189 -20.5618
9 O1a O 23.1421 -18.4592
10 C8x C 26.7648 -21.9713
11 C8y C 21.9189 -21.9596
12 C1b C 27.9879 -19.8745
13 N1a N 20.7075 -22.6586
14 N1b N 29.1936 -20.5851
15 C8y C 30.4109 -19.8861
16 C8x C 31.6165 -20.5967
17 C8x C 30.4109 -18.4825
18 C8x C 32.8279 -19.8978
19 C8x C 31.6282 -17.7952
20 C8y C 32.8339 -18.4942
21 C6a C 34.0512 -17.8010
22 O6a O 35.2626 -18.5058
23 O6a O 33.9869 -16.4031
BOND 25
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 4 9 1
9 5 10 2
10 6 11 2
11 7 12 1
12 11 13 1
13 12 14 1
14 14 15 1
15 15 16 2
16 15 17 1
17 16 18 1
18 17 19 2
19 18 20 2
20 20 21 1
21 21 22 1
22 21 23 2
23 7 10 1
24 8 11 1
25 19 20 1
|