ATOM 25
1 N1c N 14.3850 -29.9971
2 C1y C 15.6422 -30.6955
3 C8y C 13.1977 -30.6955
4 C5a C 14.3850 -28.6002
5 C1y C 15.6422 -32.0924
6 C1x C 16.8296 -29.9971
7 C8x C 12.0103 -29.9971
8 C8x C 13.1977 -32.0924
9 C1b C 15.6422 -27.9017
10 O5a O 13.1977 -27.9017
11 C1x C 16.8296 -32.7908
12 C1x C 18.0169 -30.6955
13 C8x C 10.7531 -30.6955
14 C8x C 11.9405 -32.7908
15 C1a C 16.8296 -28.6002
16 N1y N 18.0169 -32.0924
17 C8x C 10.7531 -32.0225
18 C1b C 19.2741 -32.7908
19 C1b C 20.4614 -32.0924
20 C8y C 21.6488 -32.7908
21 C8x C 21.7885 -34.1877
22 C8x C 23.1854 -34.5369
23 C8x C 23.8838 -33.2797
24 S2x S 22.9758 -32.2321
25 C1a C 14.4298 -32.7924
BOND 27
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 2
14 9 15 1
15 11 16 1
16 13 17 2
17 16 18 1
18 18 19 1
19 19 20 1
20 12 16 1
21 14 17 1
22 20 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 20 24 1
27 5 25 1
|