0 mol 6 unq 0 iso 0 dist 8.74649 13.6358 8.92565 8.48886 6.76978 5.36145 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.11545 12.4359 9.00925 12.1654 8.89145 5.7343 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.11545 12.4359 9.00925 13.8674 6.92865 11.3728 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 6.79758 12.9465 9.3147 5.21676 7.78708 9.38012 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 6.79758 12.9465 9.3147 7.65931 7.84393 10.5285 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 6.79758 4.48525 9.79426 5.21676 7.78708 9.55318 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 6.79758 4.48525 9.79426 7.65931 7.84393 9.84922 numMergedOcc 0
7 mol 42 unq 0 iso 0 dist 9.83301 8.6764 8.84148 7.92237 8.52254 6.73507 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 6.60395 6.81881 8.76389 5.82571 5.57389 4.62335 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 9.06379 8.09373 8.36667 10.5217 8.24121 14.9981 numMergedOcc 0
10 mol 69 unq 1 iso 0 dist 9.06379 8.09373 8.36667 12.1462 8.52371 13.689 numMergedOcc 0
11 mol 69 unq 2 iso 0 dist 9.06379 8.09373 8.36667 5.76912 6.8198 5.23597 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 9.26301 12.5962 5.31281 15.8173 9.24515 7.18757 numMergedOcc 0
13 mol 114 unq 1 iso 0 dist 9.26301 17.733 8.9922 15.8173 9.24515 7.13921 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 5.2929 5.93926 7.67341 6.06993 8.93552 11.909 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 5.2929 5.93926 7.67341 5.29965 8.35604 5.39296 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 9.6112 13.4643 6.68364 8.99682 5.30872 5.4432 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 7.71773 9.41685 5.97008 8.14671 8.84671 8.75092 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.86673 13.6535 9.45817 4.33134 8.03597 11.9053 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 9.99051 15.1546 9.94142 5.59727 8.93307 11.5966 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 8.9867 8.26458 6.43585 5.22923 6.86297 5.43796 numMergedOcc 0
21 mol 212 unq 0 iso 0 dist 8.53152 13.207 9.26387 6.05846 9.1384 8.61765 numMergedOcc 0
22 mol 212 unq 1 iso 0 dist 8.53152 13.207 9.26387 5.19318 7.87125 9.7586 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 8.67902 13.4896 9.81136 9.17261 8.47248 4.82712 numMergedOcc 0
24 mol 214 unq 1 iso 0 dist 8.67902 8.50143 7.25293 9.17261 8.47248 7.84001 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 9.64006 16.6231 7.86207 15.7646 8.9077 4.90657 numMergedOcc 0
26 mol 229 unq 0 iso 0 dist 5.95601 5.01153 8.36396 6.23286 8.0007 11.2438 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 7.73969 10.4934 9.13126 5.81354 6.73134 6.0258 numMergedOcc 0
28 mol 241 unq 0 iso 0 dist 9.82576 10.1581 9.174 6.14115 6.40592 4.86437 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 9.98041 11.5702 6.76656 6.00315 6.96379 5.71237 numMergedOcc 0
30 mol 271 unq 0 iso 0 dist 8.99843 9.71842 8.07242 5.55947 8.32351 5.6441 numMergedOcc 0
31 mol 281 unq 0 iso 0 dist 8.80931 5.59865 6.7897 11.2855 9.48968 5.71767 numMergedOcc 0
32 mol 281 unq 1 iso 0 dist 9.83857 5.58886 6.7897 7.12638 9.48968 5.71767 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 7.23537 7.39142 9.47963 9.70142 6.86342 7.94887 numMergedOcc 0
