0 mol 7 unq 0 iso 0 dist 9.8603 9.30196 7.15434 15.8072 8.72114 10.7937 16.6461 9.67164 8.75346 5.5683 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.91301 11.375 6.4754 10.4489 7.18019 5.3298 13.8883 9.01112 4.67793 4.1204 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.91301 3.69663 6.57999 10.4489 7.18019 7.97177 13.8883 9.01112 11.5556 4.1204 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 8.46229 6.21955 9.16444 9.93406 7.32257 5.86578 3.96333 8.30653 6.92407 10.6575 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.11056 8.95357 8.20058 11.095 8.60554 13.4836 6.40447 8.09311 12.0268 15.4445 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.11056 8.95357 8.20058 11.095 8.60554 13.4836 3.96014 9.05357 9.10781 11.8971 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 6.11056 8.95357 8.20058 4.04757 8.44664 11.9824 6.40447 8.09311 12.0268 3.84336 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 6.11056 8.95357 8.20058 4.04757 8.44664 11.9824 3.96014 9.05357 9.10781 7.01276 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 6.11056 8.95357 8.20058 6.66757 9.44691 9.04355 6.40447 8.09311 12.0268 13.0295 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 6.11056 8.95357 8.20058 6.66757 9.44691 9.04355 3.96014 9.05357 9.10781 4.02219 numMergedOcc 0
10 mol 30 unq 0 iso 0 dist 8.609 4.64354 6.83481 5.73417 8.1284 5.2347 3.65941 6.74179 6.01658 4.98558 numMergedOcc 0
11 mol 56 unq 0 iso 0 dist 7.20538 8.39913 8.96238 3.63144 7.16773 4.936 7.2452 9.03564 12.9131 9.76482 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 9.8809 8.50061 7.62791 7.30649 9.97775 5.47666 4.69809 6.9362 6.98976 5.1678 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 8.3164 7.12319 8.84523 4.81814 7.80523 10.8869 8.08642 7.07971 10.5361 5.92927 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 8.89481 4.57112 9.08014 11.2266 8.8822 10.3234 7.09333 8.80934 9.3549 7.1951 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 8.89481 4.57112 9.08014 9.01097 9.66219 9.4626 7.09333 8.80934 9.3549 3.84573 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 5.63005 11.5865 8.62648 4.01593 6.52773 9.25614 5.92411 7.64052 12.6962 5.37917 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 5.63005 11.5865 8.62648 13.1254 9.23858 5.53673 5.92411 7.64052 12.6962 15.7711 numMergedOcc 0
18 mol 159 unq 0 iso 0 dist 7.97007 5.21344 7.47975 4.49716 9.17787 4.02361 3.82805 9.36259 7.21999 7.91903 numMergedOcc 0
19 mol 159 unq 1 iso 0 dist 7.97007 5.21344 7.47975 6.69743 8.4858 9.90351 3.82805 9.36259 7.21999 9.65034 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 9.58911 7.56512 6.58792 12.0718 6.22122 6.56225 17.3349 8.59874 11.9701 6.39406 numMergedOcc 0
