0 mol 30 unq 0 iso 0 dist 9.41816 9.28346 4.43881 4.02928 7.6477 6.07517 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.5865 9.8294 7.71372 13.5924 8.32902 15.5227 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.54999 9.61711 7.79998 9.81268 6.57633 13.5965 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.93939 6.04163 4.60412 16.7919 9.79061 10.9476 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.28357 8.51543 4.80624 5.4968 9.73179 6.72869 numMergedOcc 0
5 mol 96 unq 0 iso 0 dist 9.25941 6.19867 13.3443 6.67182 9.90938 12.7277 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 5.62903 6.5258 4.87668 4.03471 6.6536 4.22363 numMergedOcc 0
7 mol 217 unq 0 iso 0 dist 6.10085 7.52229 8.71371 3.64097 7.00456 9.62437 numMergedOcc 0
8 mol 217 unq 1 iso 0 dist 6.10085 7.52229 8.71371 8.43469 8.99484 9.70417 numMergedOcc 0
9 mol 236 unq 0 iso 0 dist 7.61854 5.99137 7.45579 14.3613 8.75172 15.106 numMergedOcc 0
10 mol 243 unq 0 iso 0 dist 8.82741 8.69557 14.0902 3.98086 8.89434 10.5519 numMergedOcc 0
11 mol 243 unq 1 iso 0 dist 8.82741 9.39147 7.07529 3.98086 8.89434 11.4863 numMergedOcc 0
12 mol 243 unq 2 iso 0 dist 4.88105 7.70059 7.07529 6.95692 8.89434 11.4863 numMergedOcc 0
13 mol 247 unq 0 iso 0 dist 9.1947 8.14191 9.08383 5.13431 9.39619 12.4698 numMergedOcc 0
14 mol 267 unq 0 iso 0 dist 7.21009 6.54381 7.22349 11.9524 5.463 10.3168 numMergedOcc 0
15 mol 267 unq 1 iso 0 dist 7.21009 6.54381 7.22349 6.09744 8.68244 11.8835 numMergedOcc 0
16 mol 267 unq 2 iso 0 dist 7.21009 6.54381 7.22349 6.6853 9.46729 10.316 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 9.87771 7.63115 8.00087 8.68671 8.49945 12.3928 numMergedOcc 0
18 mol 279 unq 1 iso 0 dist 9.87771 7.63115 8.00087 12.2817 9.68415 11.4467 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 9.44726 7.11081 4.81126 7.24839 7.82167 9.5785 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 9.44726 7.11081 4.81126 8.58496 9.01438 9.76319 numMergedOcc 0
21 mol 292 unq 2 iso 0 dist 6.51561 8.44108 4.92497 4.0294 9.63325 11.3888 numMergedOcc 0
22 mol 292 unq 3 iso 0 dist 6.51561 8.44108 4.92497 6.59125 8.67283 11.9311 numMergedOcc 0
