ATOM 27
1 C8x C 22.3426 -18.4562
2 C8y C 22.3426 -19.8593
3 C8x C 23.5576 -20.5608
4 C8x C 24.7728 -19.8593
5 C8y C 24.7728 -18.4562
6 C8x C 23.5576 -17.7547
7 C8x C 27.2029 -19.8593
8 C8y C 27.2029 -18.4562
9 C1c C 25.9878 -17.7547
10 C8x C 28.4180 -20.5608
11 C8x C 29.6330 -19.8593
12 C8x C 29.6330 -18.4562
13 C8x C 28.4180 -17.7547
14 N1y N 25.9878 -16.3516
15 C1x C 27.2050 -15.6489
16 C1x C 27.2050 -14.2458
17 N1y N 25.9898 -13.5443
18 C1x C 24.7728 -14.2470
19 C1x C 24.7728 -15.6501
20 X Cl 21.1276 -20.5608
21 C1b C 25.9898 -12.1424
22 C1b C 27.2055 -11.4407
23 O2a O 28.4038 -12.1326
24 C1b C 29.5935 -11.4459
25 C6a C 30.7875 -12.1353
26 O6a O 31.9795 -11.4472
27 O6a O 30.7875 -13.5452
BOND 29
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 7 8 1
8 8 9 1
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 9 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 2 20 1
23 17 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 25 27 2
|