0 mol 0 unq 0 iso 0 dist 7.20999 13.6767 9.19007 13.7401 7.02374 7.92928 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.15434 7.29541 5.72491 16.3188 10.789 9.55056 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.15434 7.29541 5.72491 13.7477 10.515 7.45262 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 4.92734 9.91124 7.3915 16.8048 12.8924 8.94096 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 4.92734 9.91124 7.3915 7.77271 4.85329 9.07858 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 9.16444 6.84888 7.05346 12.374 13.5628 9.82483 numMergedOcc 0
6 mol 13 unq 0 iso 0 dist 6.44408 6.00386 5.78148 13.2798 13.1699 8.00865 numMergedOcc 0
7 mol 13 unq 1 iso 0 dist 6.44408 6.00386 5.78148 11.6517 11.1987 9.11447 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 7.51406 6.81213 5.69955 12.9685 9.87119 7.61055 numMergedOcc 0
9 mol 30 unq 0 iso 0 dist 8.21595 5.77009 8.7817 13.5935 10.8374 8.58568 numMergedOcc 0
10 mol 30 unq 1 iso 0 dist 9.60744 5.77009 7.55415 13.5935 7.95173 8.58568 numMergedOcc 0
11 mol 42 unq 0 iso 0 dist 6.86731 8.13252 9.16649 11.2084 9.34878 6.25866 numMergedOcc 0
12 mol 56 unq 0 iso 0 dist 9.77018 7.79856 8.63486 10.6971 11.2318 8.98797 numMergedOcc 0
13 mol 56 unq 1 iso 0 dist 8.96238 6.5705 6.77886 9.50913 10.9467 5.86571 numMergedOcc 0
14 mol 111 unq 0 iso 0 dist 9.04546 10.1874 7.71107 15.587 7.59143 9.41723 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.62648 8.9683 8.56342 16.6083 10.0197 9.87025 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 8.62648 8.9683 8.56342 12.5653 10.6679 5.85818 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 8.99949 14.8405 9.29384 15.7866 7.00551 9.39683 numMergedOcc 0
18 mol 159 unq 0 iso 0 dist 7.47975 9.78249 7.25742 10.4366 4.57561 7.13269 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 10.8582 6.05805 5.73148 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 8.3705 9.80071 7.62942 9.75763 6.08211 9.79691 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 6.15806 6.37333 5.60393 7.70781 6.23291 5.42696 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 4.851 11.3699 9.20961 13.6078 11.4148 6.86795 numMergedOcc 0
23 mol 218 unq 1 iso 0 dist 4.851 11.3699 9.20961 16.4932 12.7963 6.61099 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 9.60159 11.2986 8.38865 17.394 9.60993 9.20589 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 9.60159 11.2986 8.38865 15.267 13.3557 7.89801 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 5.67917 6.85179 6.66971 11.8385 13.0842 9.42618 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 8.96639 6.85179 6.4398 11.8385 15.3074 9.42618 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 9.38753 8.09178 5.52379 14.4733 11.6239 7.61203 numMergedOcc 0
29 mol 238 unq 3 iso 0 dist 9.38753 8.09178 5.52379 13.4578 13.9614 9.47845 numMergedOcc 0
30 mol 238 unq 4 iso 0 dist 9.38753 8.09178 5.52379 10.6591 12.3042 6.92409 numMergedOcc 0
31 mol 238 unq 5 iso 0 dist 9.38753 8.09178 5.52379 13.9257 5.54325 6.89694 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 8.7017 5.71442 8.67805 8.5166 10.0774 7.18771 numMergedOcc 0
33 mol 239 unq 1 iso 0 dist 8.7017 5.71442 8.67805 11.48 9.8202 7.94894 numMergedOcc 0
34 mol 239 unq 2 iso 0 dist 9.51583 8.88857 8.67805 14.9709 10.0774 7.18771 numMergedOcc 0
35 mol 239 unq 3 iso 0 dist 9.51583 8.88857 8.67805 15.5928 9.8202 7.94894 numMergedOcc 0
36 mol 240 unq 0 iso 0 dist 9.68888 17.2138 9.47583 18.5604 10.7371 8.33853 numMergedOcc 0
37 mol 240 unq 1 iso 0 dist 9.68888 17.2138 9.47583 21.1968 13.9225 5.66537 numMergedOcc 0
38 mol 264 unq 0 iso 0 dist 6.8902 5.86656 6.14323 13.4211 12.3807 9.42738 numMergedOcc 0
39 mol 294 unq 0 iso 0 dist 5.18789 6.60365 9.13907 9.17225 6.17102 8.32473 numMergedOcc 0
