ATOM 19
1 C8x C 24.7100 -19.2500
2 C8y C 24.7100 -20.6500
3 C8x C 25.9000 -21.3500
4 C8y C 27.1600 -20.6500
5 C8y C 27.1600 -19.2500
6 C8x C 25.9000 -18.5500
7 X Cl 23.5200 -21.3500
8 C1c C 28.4200 -18.5500
9 O2a O 29.6100 -19.2500
10 C1b C 28.4200 -17.1500
11 X Cl 28.4200 -21.3500
12 C1b C 30.8000 -18.5500
13 C2b C 31.9900 -19.2500
14 C2a C 33.1800 -18.5500
15 N4y N 29.6100 -16.4500
16 C8x C 30.9400 -16.8700
17 N5x N 31.7100 -15.7500
18 C8x C 30.8700 -14.6300
19 C8x C 29.6100 -15.0500
BOND 20
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 2 7 1
8 5 8 1
9 8 9 1
10 8 10 1
11 4 11 1
12 9 12 1
13 12 13 1
14 13 14 2
15 10 15 1
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 15 19 1
|