0 mol 0 unq 0 iso 0 dist 7.20999 13.6767 9.19007 13.7401 7.02374 7.92928 11.0785 6.0225 6.94943 4.22598 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.15434 7.29541 5.72491 16.3188 10.789 9.55056 13.6482 7.12508 8.15894 4.40641 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.15434 7.29541 5.72491 13.7477 10.515 7.45262 13.6482 7.12508 8.15894 7.92429 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 7.51406 6.81213 5.69955 12.9685 9.87119 7.61055 12.4917 8.25132 6.73167 10.267 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 7.51406 6.81213 5.69955 12.9685 9.87119 7.61055 10.483 4.94205 7.40948 6.77624 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 9.77018 7.79856 8.63486 10.6971 11.2318 8.98797 5.91948 6.15355 5.07125 6.43007 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 8.99949 14.8405 9.29384 15.7866 7.00551 9.39683 19.8448 12.6005 6.78801 8.34485 numMergedOcc 0
7 mol 159 unq 0 iso 0 dist 7.47975 9.78249 7.25742 10.4366 4.57561 7.13269 11.27 4.48323 6.07821 4.27525 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 10.8582 6.05805 5.73148 13.2972 13.9189 9.13027 11.9654 numMergedOcc 0
9 mol 195 unq 0 iso 0 dist 8.3705 9.80071 7.62942 9.75763 6.08211 9.79691 12.5713 6.04871 6.34234 10.5776 numMergedOcc 0
10 mol 195 unq 1 iso 0 dist 8.3705 9.80071 7.62942 9.75763 6.08211 9.79691 10.6913 8.04534 7.87972 4.18074 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 9.60159 11.2986 8.38865 17.394 9.60993 9.20589 10.4038 4.1511 5.28771 9.08701 numMergedOcc 0
12 mol 227 unq 1 iso 0 dist 9.60159 11.2986 8.38865 15.267 13.3557 7.89801 10.4038 4.1511 5.28771 12.0749 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 9.38753 8.09178 5.52379 14.4733 11.6239 7.61203 11.0533 4.48415 6.53286 9.75095 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 9.38753 8.09178 5.52379 13.4578 13.9614 9.47845 11.0533 4.48415 6.53286 11.7938 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 9.38753 8.09178 5.52379 10.6591 12.3042 6.92409 11.0533 4.48415 6.53286 11.7709 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 9.38753 8.09178 5.52379 13.9257 5.54325 6.89694 11.0533 4.48415 6.53286 6.12722 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 6.8902 5.86656 6.14323 13.4211 12.3807 9.42738 11.1879 13.2035 7.14086 9.04569 numMergedOcc 0
