0 mol 24 unq 0 iso 0 dist 6.72502 5.11636 8.24948 8.60554 6.99746 5.80953 11.2106 9.40479 9.57743 4.90592 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.72502 5.11636 8.24948 8.60554 6.99746 5.80953 5.97304 9.38831 4.47891 9.36461 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.44506 7.11305 6.38243 11.9684 5.66783 6.81793 15.8943 11.9636 9.45442 6.74848 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 6.43433 6.75738 7.44041 12.9739 15.0784 8.72725 14.765 15.3575 8.59786 9.77017 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 9.92283 5.43385 7.44041 10.1861 15.0784 8.72725 11.0629 15.3575 8.59786 9.77017 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 9.15431 4.57579 6.78801 10.8571 5.66194 7.75314 7.21005 7.76594 4.24991 5.39061 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 6.92648 8.57203 6.78801 11.8964 5.66194 7.75314 11.5688 7.76594 4.24991 5.39061 numMergedOcc 0
7 mol 131 unq 2 iso 0 dist 9.29384 12.6005 6.78801 14.9021 5.66194 7.75314 15.7796 7.76594 4.24991 5.39061 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 6.69515 13.2918 6.77921 11.0743 5.38571 6.65731 17.0138 11.3342 8.48213 7.64956 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 7.86572 13.4066 6.77921 9.97343 5.38571 6.65731 13.8236 11.3342 8.48213 7.64956 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 9.11712 4.00127 8.999 11.4288 11.6944 7.47964 8.26419 9.75627 6.1593 8.1536 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 6.26839 10.0756 5.53324 8.65535 5.92931 4.19371 6.66155 5.52678 5.28603 6.37788 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 6.26839 10.0756 5.53324 8.65535 5.92931 4.19371 5.4499 9.81666 11.0713 8.7028 numMergedOcc 0
13 mol 194 unq 2 iso 0 dist 8.12346 10.2793 5.53324 12.0009 5.92931 4.19371 6.12973 5.52678 5.28603 6.37788 numMergedOcc 0
14 mol 194 unq 3 iso 0 dist 8.12346 10.2793 5.53324 12.0009 5.92931 4.19371 11.0239 9.81666 11.0713 8.7028 numMergedOcc 0
15 mol 194 unq 4 iso 0 dist 8.83356 10.463 5.53324 12.645 5.92931 4.19371 13.0333 5.52678 5.28603 6.37788 numMergedOcc 0
16 mol 194 unq 5 iso 0 dist 8.83356 10.463 5.53324 12.645 5.92931 4.19371 18.6469 9.81666 11.0713 8.7028 numMergedOcc 0
17 mol 194 unq 6 iso 0 dist 8.2654 12.8494 5.53324 13.9101 5.92931 4.19371 10.1796 5.52678 5.28603 6.37788 numMergedOcc 0
18 mol 194 unq 7 iso 0 dist 8.2654 12.8494 5.53324 13.9101 5.92931 4.19371 13.5457 9.81666 11.0713 8.7028 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 8.87609 3.97158 7.8744 10.281 6.59663 7.7086 11.5135 6.53728 11.6976 8.20162 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 6.11473 5.6214 9.39658 12.9597 17.2823 8.09509 6.28227 11.8525 4.34126 7.39391 numMergedOcc 0
21 mol 252 unq 1 iso 0 dist 6.53679 5.6214 5.9974 12.9597 12.0545 8.09509 6.28227 8.55481 4.34126 7.39391 numMergedOcc 0
22 mol 252 unq 2 iso 0 dist 7.50201 7.40852 5.9974 11.0831 12.0545 8.09509 5.25252 8.55481 4.34126 7.39391 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 7.71657 4.74189 8.20485 10.1085 8.62248 9.63518 7.05373 12.2996 5.67713 9.53943 numMergedOcc 0
