0 mol 0 unq 0 iso 0 dist 7.20999 13.6767 9.19007 7.08361 6.91778 14.0232 13.7401 7.02374 7.92928 13.4647 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.15434 7.29541 5.72491 10.7937 8.72114 10.1959 16.3188 10.789 9.55056 13.6379 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.15434 7.29541 5.72491 10.7937 8.72114 10.1959 13.7477 10.515 7.45262 9.97624 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 4.92734 9.91124 7.3915 7.97177 8.53529 5.65816 16.8048 12.8924 8.94096 14.4294 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 4.92734 9.91124 7.3915 7.97177 8.53529 5.65816 7.77271 4.85329 9.07858 11.4415 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 9.16444 6.84888 7.05346 5.86578 7.32257 8.88528 12.374 13.5628 9.82483 11.6997 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 8.96238 6.5705 6.77886 4.936 7.16773 8.25666 9.50913 10.9467 5.86571 12.9373 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.62648 8.9683 8.56342 9.25614 6.52773 6.96805 16.6083 10.0197 9.87025 11.1099 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.62648 8.9683 8.56342 9.25614 6.52773 6.96805 12.5653 10.6679 5.85818 11.8717 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 8.62648 8.9683 8.56342 5.53673 9.23858 13.3975 16.6083 10.0197 9.87025 18.7646 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 8.62648 8.9683 8.56342 5.53673 9.23858 13.3975 12.5653 10.6679 5.85818 15.8603 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.99949 14.8405 9.29384 10.5805 8.70296 10.8127 15.7866 7.00551 9.39683 10.9721 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 8.99949 14.8405 9.29384 8.98062 9.25558 11.2516 15.7866 7.00551 9.39683 14.9787 numMergedOcc 0
13 mol 159 unq 0 iso 0 dist 7.47975 9.78249 7.25742 4.02361 9.17787 10.3427 10.4366 4.57561 7.13269 10.4588 numMergedOcc 0
14 mol 159 unq 1 iso 0 dist 7.47975 9.78249 7.25742 9.90351 8.4858 7.97232 10.4366 4.57561 7.13269 5.9032 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 8.99392 8.24693 6.29877 10.8582 6.05805 5.73148 10.4506 numMergedOcc 0
16 mol 171 unq 1 iso 0 dist 7.13441 6.15895 5.10618 5.68701 6.71356 5.90358 10.8582 6.05805 5.73148 10.7861 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 8.3705 9.80071 7.62942 11.3703 9.26504 6.0634 9.75763 6.08211 9.79691 14.0228 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.15806 6.37333 5.60393 5.07333 5.44002 8.46033 7.70781 6.23291 5.42696 10.5073 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 5.67917 6.85179 6.66971 5.11183 7.57812 4.77308 11.8385 13.0842 9.42618 6.87131 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 5.67917 6.85179 6.66971 6.32646 8.69104 10.2777 11.8385 13.0842 9.42618 9.69818 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 9.38753 8.09178 5.52379 6.77421 7.10685 5.83386 14.4733 11.6239 7.61203 13.0987 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 9.38753 8.09178 5.52379 6.77421 7.10685 5.83386 13.4578 13.9614 9.47845 14.4678 numMergedOcc 0
23 mol 238 unq 4 iso 0 dist 9.38753 8.09178 5.52379 6.77421 7.10685 5.83386 10.6591 12.3042 6.92409 10.6749 numMergedOcc 0
24 mol 238 unq 5 iso 0 dist 9.38753 8.09178 5.52379 6.77421 7.10685 5.83386 13.9257 5.54325 6.89694 10.1326 numMergedOcc 0
25 mol 240 unq 0 iso 0 dist 9.68888 17.2138 9.47583 5.24149 6.68687 15.5587 18.5604 10.7371 8.33853 17.0428 numMergedOcc 0
26 mol 240 unq 1 iso 0 dist 9.68888 17.2138 9.47583 5.24149 6.68687 15.5587 21.1968 13.9225 5.66537 20.2034 numMergedOcc 0
