0 mol 8 unq 0 iso 0 dist 4.92734 9.91124 7.3915 10.6501 8.79272 7.12263 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 4.92734 9.91124 7.3915 10.6477 6.32152 5.00267 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.16444 6.84888 7.05346 11.4391 6.119 5.55437 numMergedOcc 0
3 mol 13 unq 0 iso 0 dist 6.44408 6.00386 5.78148 14.5084 10.9884 9.10587 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.20058 12.1567 6.72502 13.0079 11.2106 9.40479 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.20058 12.1567 6.72502 13.7923 5.97304 9.38831 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.17086 8.33667 9.93832 12.0359 7.05402 7.31982 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 9.77018 7.79856 8.63486 12.1145 12.8132 6.91393 numMergedOcc 0
8 mol 56 unq 1 iso 0 dist 9.77018 7.79856 8.63486 12.9309 16.7219 8.40038 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 7.00285 10.8678 5.88354 15.5041 10.7735 7.63183 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 8.02354 13.5865 5.88354 18.0219 10.7735 7.63183 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 9.00692 9.70366 8.8368 9.45186 8.01486 7.63183 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 6.26542 7.63357 8.8368 8.6964 8.01486 7.63183 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.88255 6.89245 7.77116 10.4602 4.91132 8.03035 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.88255 6.89245 7.77116 11.794 6.08167 7.6968 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 8.62648 8.9683 8.56342 7.20629 3.78311 8.03035 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 8.62648 5.50673 6.37542 7.20629 3.78311 7.6968 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 8.99949 14.8405 9.29384 22.1491 15.7796 7.76594 numMergedOcc 0
18 mol 140 unq 0 iso 0 dist 7.83582 11.3235 5.39064 16.4229 8.83949 6.98813 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 7.34465 7.97183 6.69515 14.8886 9.76015 8.26172 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 9.47675 7.97183 7.86572 14.8886 8.24418 8.26172 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 13.5884 9.61561 7.82546 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 4.851 11.3699 9.20961 9.27651 8.94041 8.93185 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 9.60159 11.2986 8.38865 13.5057 10.5813 9.56257 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 5.67917 6.85179 6.66971 14.5395 10.7508 9.89583 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 8.96639 6.85179 6.4398 14.5395 5.87253 9.89583 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 9.38753 8.09178 5.52379 9.28463 14.1055 9.89583 numMergedOcc 0
27 mol 240 unq 0 iso 0 dist 9.68888 17.2138 9.47583 16.3061 10.6074 9.53915 numMergedOcc 0
28 mol 251 unq 0 iso 0 dist 7.54763 8.51564 8.01198 13.1045 6.6269 8.53757 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 8.9706 7.43645 9.53063 11.064 7.42673 6.47194 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 8.21585 12.2193 7.99477 12.9634 5.27959 6.47194 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 6.8902 5.86656 6.14323 11.5801 9.37297 5.74568 numMergedOcc 0
32 mol 294 unq 0 iso 0 dist 5.18789 6.60365 9.13907 11.8883 12.0308 7.41079 numMergedOcc 0
