ATOM 25
1 N1b N 32.2787 -21.0233
2 C8x C 23.8068 -18.9332
3 C8y C 23.8047 -20.3364
4 C8x C 25.0182 -21.0404
5 C8y C 26.2344 -20.3356
6 C8x C 26.2295 -18.9271
7 C8x C 25.0151 -18.2367
8 O2a O 27.4478 -21.0375
9 C1b C 28.6503 -20.3343
10 C1b C 29.8598 -21.0304
11 C1b C 31.0693 -20.3272
12 C1b C 22.5915 -21.0387
13 N1y N 21.3793 -20.3346
14 C1x C 21.3211 -18.9340
15 C1x C 20.1858 -18.2372
16 C1x C 18.9683 -18.9264
17 C1x C 18.9640 -20.3273
18 C1x C 20.1769 -21.0390
19 C8y C 33.4892 -20.3162
20 N5x N 34.7735 -20.8846
21 C8y C 35.7089 -19.8399
22 N5x N 35.0017 -18.6294
23 N4y N 33.6337 -18.9232
24 C1a C 32.5902 -17.9937
25 N1a N 37.1011 -19.9809
BOND 27
1 3 4 1
2 3 12 1
3 4 5 2
4 12 13 1
5 13 14 1
6 5 6 1
7 6 7 2
8 7 2 1
9 13 18 1
10 14 15 1
11 15 16 1
12 16 17 1
13 17 18 1
14 1 19 1
15 8 9 1
16 9 10 1
17 2 3 2
18 10 11 1
19 19 20 2
20 20 21 1
21 21 22 2
22 22 23 1
23 23 19 1
24 11 1 1
25 23 24 1
26 8 5 1
27 21 25 1
|