0 mol 79 unq 0 iso 0 dist 9.65012 10.5635 8.04168 8.26855 5.70907 9.61175 numMergedOcc 0
1 mol 79 unq 0 iso 1 dist 9.65012 8.26855 5.70907 10.5635 8.04168 9.61175 numMergedOcc 0
2 mol 79 unq 1 iso 0 dist 7.10351 14.0819 8.04168 6.06978 5.70907 9.61175 numMergedOcc 0
3 mol 79 unq 1 iso 1 dist 7.10351 6.06978 5.70907 14.0819 8.04168 9.61175 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.71837 3.91176 6.98037 6.02121 6.9223 6.02822 numMergedOcc 0
5 mol 92 unq 0 iso 1 dist 9.71837 6.02121 6.9223 3.91176 6.98037 6.02822 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 7.72039 7.42029 8.48088 10.7254 7.27506 6.12906 numMergedOcc 0
7 mol 95 unq 0 iso 1 dist 7.72039 10.7254 7.27506 7.42029 8.48088 6.12906 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 5.10248 6.4405 8.48313 3.64555 6.99345 6.05407 numMergedOcc 0
9 mol 134 unq 0 iso 1 dist 5.10248 3.64555 6.99345 6.4405 8.48313 6.05407 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 5.10248 6.4405 8.48313 4.78701 5.11043 10.5379 numMergedOcc 0
11 mol 134 unq 1 iso 1 dist 5.10248 4.78701 5.11043 6.4405 8.48313 10.5379 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 5.10248 3.64555 6.99345 4.78701 5.11043 5.83782 numMergedOcc 0
13 mol 134 unq 1 iso 1 dist 5.10248 4.78701 5.11043 3.64555 6.99345 5.83782 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 8.26119 10.739 5.53324 14.8319 6.72182 9.10229 numMergedOcc 0
15 mol 194 unq 0 iso 1 dist 8.26119 14.8319 6.72182 10.739 5.53324 9.10229 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 9.10338 5.22745 5.53324 9.19768 6.72182 9.10229 numMergedOcc 0
17 mol 194 unq 1 iso 1 dist 9.10338 9.19768 6.72182 5.22745 5.53324 9.10229 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 9.34695 6.38826 9.57955 11.0792 8.79277 8.05944 numMergedOcc 0
19 mol 225 unq 0 iso 1 dist 9.34695 11.0792 8.79277 6.38826 9.57955 8.05944 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 7.55355 16.5481 9.87668 11.4833 8.42121 8.05944 numMergedOcc 0
21 mol 225 unq 1 iso 1 dist 7.55355 11.4833 8.42121 16.5481 9.87668 8.05944 numMergedOcc 0
22 mol 225 unq 2 iso 0 dist 7.55355 16.5481 9.87668 6.98336 7.8744 16.7885 numMergedOcc 0
23 mol 225 unq 2 iso 1 dist 7.55355 6.98336 7.8744 16.5481 9.87668 16.7885 numMergedOcc 0
24 mol 225 unq 3 iso 0 dist 7.55355 16.5481 9.87668 6.45087 4.98402 13.7858 numMergedOcc 0
25 mol 225 unq 3 iso 1 dist 7.55355 6.45087 4.98402 16.5481 9.87668 13.7858 numMergedOcc 0
26 mol 225 unq 2 iso 0 dist 7.55355 11.4833 8.42121 6.98336 7.8744 14.5755 numMergedOcc 0
27 mol 225 unq 2 iso 1 dist 7.55355 6.98336 7.8744 11.4833 8.42121 14.5755 numMergedOcc 0
28 mol 225 unq 3 iso 0 dist 7.55355 11.4833 8.42121 6.45087 4.98402 11.2712 numMergedOcc 0
29 mol 225 unq 3 iso 1 dist 7.55355 6.45087 4.98402 11.4833 8.42121 11.2712 numMergedOcc 0
30 mol 225 unq 3 iso 0 dist 7.55355 6.98336 7.8744 6.45087 4.98402 8.90802 numMergedOcc 0
31 mol 225 unq 3 iso 1 dist 7.55355 6.45087 4.98402 6.98336 7.8744 8.90802 numMergedOcc 0
32 mol 229 unq 0 iso 0 dist 5.67652 7.5737 6.42694 4.39666 7.63917 6.12355 numMergedOcc 0
33 mol 229 unq 0 iso 1 dist 5.67652 4.39666 7.63917 7.5737 6.42694 6.12355 numMergedOcc 0
34 mol 250 unq 0 iso 0 dist 5.01762 9.20475 7.22664 4.62181 7.15762 6.74332 numMergedOcc 0
35 mol 250 unq 0 iso 1 dist 5.01762 4.62181 7.15762 9.20475 7.22664 6.74332 numMergedOcc 0
36 mol 264 unq 0 iso 0 dist 8.43465 4.66338 6.02757 9.41519 8.67231 5.23295 numMergedOcc 0
37 mol 264 unq 0 iso 1 dist 8.43465 9.41519 8.67231 4.66338 6.02757 5.23295 numMergedOcc 0
38 mol 270 unq 0 iso 0 dist 7.90419 6.44843 7.39185 7.19917 8.20158 6.67404 numMergedOcc 0
39 mol 270 unq 0 iso 1 dist 7.90419 7.19917 8.20158 6.44843 7.39185 6.67404 numMergedOcc 0
