ATOM 26
1 C1y C 18.5817 -16.3559
2 C1y C 17.1787 -16.3676
3 C1z C 17.8745 -15.1400
4 C7a C 19.7919 -15.6544
5 C2b C 15.9686 -15.6601
6 C1a C 17.1670 -13.9240
7 C1a C 18.5700 -13.9240
8 O7a O 20.9961 -16.3559
9 O6a O 19.7919 -14.2571
10 C2c C 14.7585 -16.3617
11 X Cl 13.5544 -15.6601
12 X Cl 14.7585 -17.7587
13 C1b C 22.2042 -15.6648
14 C8y C 23.4106 -16.3677
15 C8x C 23.4052 -17.7803
16 C8x C 24.6150 -18.4849
17 C8x C 25.8301 -17.7895
18 C8y C 25.8355 -16.3770
19 C8x C 24.6256 -15.6723
20 O2a O 27.0457 -15.6844
21 C8y C 28.2353 -16.3773
22 C8x C 28.2299 -17.7804
23 C8x C 29.4396 -18.4851
24 C8x C 30.6548 -17.7898
25 C8x C 30.6603 -16.3867
26 C8x C 29.4504 -15.6820
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1 #Down
5 3 6 1
6 3 7 1
7 4 8 1
8 4 9 2
9 5 10 2
10 10 11 1
11 10 12 1
12 2 3 1
13 8 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 18 20 1
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 21 26 1
| 
