ATOM 33
1 C8y C 3.4969 -10.7876
2 C1y C 4.3141 -10.6980
3 C8y C 3.0141 -10.1186
4 N4x N 3.0176 -11.4600
5 N1y N 4.6589 -9.9497
6 C1x C 4.7969 -11.3704
7 C8y C 2.2245 -10.3738
8 C1x C 3.3520 -9.3669
9 C8y C 2.2279 -11.2049
10 C1x C 5.4796 -9.8704
11 C1x C 4.1727 -9.2773
12 C1y C 5.6141 -11.2911
13 C8x C 1.5107 -9.9600
14 C8x C 1.5107 -11.6186
15 C2y C 5.9555 -10.5428
16 C1b C 6.1934 -11.8738
17 C8x C 0.7900 -10.3738
18 C8x C 0.7900 -11.2049
19 C2b C 6.7762 -10.5393
20 C8y C 6.1900 -12.7049
21 C1a C 7.1934 -11.2531
22 C8y C 6.9072 -13.1221
23 N5x N 5.4693 -13.1152
24 C8y C 6.9038 -13.9497
25 N4x N 7.6934 -12.8669
26 C8x C 5.4658 -13.9428
27 C8y C 7.6900 -14.2049
28 C8x C 6.1796 -14.3635
29 C8y C 8.1831 -13.5428
30 C8x C 8.0245 -14.9600
31 C8x C 9.0038 -13.6324
32 C8x C 8.8486 -15.0497
33 C8x C 9.3348 -14.3876
BOND 39
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 9 14 1
14 10 15 1
15 12 16 1
16 13 17 2
17 14 18 2
18 15 19 2
19 16 20 1
20 19 21 1
21 20 22 1
22 20 23 2
23 22 24 2
24 22 25 1
25 23 26 1
26 24 27 1
27 24 28 1
28 25 29 1
29 27 30 1
30 29 31 1
31 30 32 2
32 31 33 2
33 7 9 2
34 8 11 1
35 12 15 1
36 17 18 1
37 26 28 2
38 27 29 2
39 32 33 1
| 
