ATOM 31
1 C1y C 22.1411 -21.2533
2 C1y C 23.5412 -21.2533
3 C1z C 22.8305 -20.0363
4 C1a C 23.5970 -18.9591
5 C1a C 21.8385 -19.0372
6 C2b C 20.9310 -20.5497
7 C2c C 19.7211 -21.2533
8 C1d C 18.5110 -20.5497
9 X Cl 19.7140 -22.6534
10 X F 17.2939 -21.2462
11 X F 18.5039 -19.1499
12 X F 17.2939 -19.8533
13 C8y C 33.2145 -21.2673
14 C8x C 33.2075 -22.6674
15 C8x C 34.4173 -23.3700
16 C8x C 35.6342 -22.6796
17 C8x C 35.6413 -21.2795
18 C8x C 34.4315 -20.5700
19 C8y C 28.3744 -21.2744
20 C8x C 28.3744 -22.6745
21 C8x C 29.5905 -23.3710
22 C8x C 30.7998 -22.6745
23 C8y C 30.7998 -21.2744
24 C8x C 29.5905 -20.5709
25 O2a O 32.0045 -20.5709
26 C1c C 27.1713 -20.5709
27 O7a O 25.9612 -21.2673
28 C7a C 24.7511 -20.5639
29 O6a O 24.8142 -19.1639
30 C3b C 27.1572 -19.1710
31 N3a N 27.1502 -17.7709
BOND 33
1 13 14 2
2 14 15 1
3 15 16 2
4 16 17 1
5 17 18 2
6 18 13 1
7 7 9 1
8 1 2 1
9 8 10 1
10 3 5 1
11 8 11 1
12 1 3 1
13 19 20 2
14 20 21 1
15 21 22 2
16 22 23 1
17 23 24 2
18 24 19 1
19 8 12 1
20 23 25 1
21 25 13 1
22 1 6 1
23 19 26 1
24 3 2 1
25 26 27 1
26 6 7 2
27 27 28 1
28 28 2 1
29 28 29 2
30 7 8 1
31 26 30 1
32 3 4 1
33 30 31 3
| 
