ATOM 23
1 C8x C 26.3900 -23.7300
2 C8x C 26.3900 -25.1300
3 C8x C 27.6024 -25.8300
4 C8y C 28.8149 -25.1300
5 C8y C 28.8149 -23.7300
6 C8x C 27.6024 -23.0300
7 N1y N 30.0273 -25.8300
8 C1y C 31.2397 -25.1300
9 C1z C 31.2397 -23.7300
10 C1y C 32.4522 -25.8300
11 N1y N 33.6646 -25.1300
12 C1y C 33.6646 -23.7300
13 C1x C 32.4522 -23.0300
14 C1x C 32.4522 -27.2300
15 C1y C 33.6646 -27.9300
16 C2y C 34.8770 -27.2300
17 C1x C 34.8770 -25.8300
18 C2b C 36.0895 -27.9300
19 C1a C 36.0895 -29.3300
20 C1y C 34.8770 -23.0300
21 C1y C 32.3471 -22.0401
22 O1a O 32.3471 -20.6401
23 C1a C 30.0273 -27.2300
BOND 28
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 5 1 #Down
11 8 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 10 14 1
17 14 15 1
18 15 16 1
19 16 17 1
20 11 17 1
21 16 18 2
22 18 19 1
23 12 20 1 #Up
24 15 20 1 #Up
25 20 21 1
26 9 21 1
27 21 22 1 #Down
28 7 23 1
|