0 mol 98 unq 0 iso 0 dist 9.92781 14.5779 5.94696 5.04286 6.7117 12.4265 numMergedOcc 0
1 mol 98 unq 1 iso 0 dist 9.92781 14.5779 5.94696 10.4243 4.47349 7.1452 numMergedOcc 0
2 mol 98 unq 2 iso 0 dist 9.92781 14.5779 5.94696 10.9229 5.65185 4.96747 numMergedOcc 0
3 mol 98 unq 3 iso 0 dist 6.56349 9.30319 5.94696 10.5282 6.7117 12.4265 numMergedOcc 0
4 mol 98 unq 4 iso 0 dist 6.56349 9.30319 5.94696 6.5508 4.47349 7.1452 numMergedOcc 0
5 mol 98 unq 5 iso 0 dist 6.56349 9.30319 5.94696 10.457 5.65185 4.96747 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 8.26447 10.2688 9.66068 7.84178 8.8822 16.3524 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 6.71684 10.2613 5.37302 7.84178 9.66219 14.0364 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 6.71684 10.2688 8.03783 7.84178 9.66219 16.3524 numMergedOcc 0
9 mol 113 unq 3 iso 0 dist 6.71684 4.55686 8.47541 7.84178 9.66219 12.1308 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.63746 9.06417 8.75431 13.1947 8.99399 10.7421 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 6.20073 11.7216 6.16862 10.4177 9.22232 12.7925 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 6.20073 14.7091 9.70325 10.4177 9.22232 15.4258 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 8.17453 15.237 8.90876 7.05725 7.44629 12.1014 numMergedOcc 0
14 mol 168 unq 1 iso 0 dist 7.80008 11.4274 8.90876 4.7099 7.44629 12.1014 numMergedOcc 0
15 mol 264 unq 0 iso 0 dist 8.56593 6.08753 9.3201 8.12266 7.16853 3.93713 numMergedOcc 0
16 mol 273 unq 0 iso 0 dist 8.14068 10.7155 6.38341 15.5383 8.83865 5.75973 numMergedOcc 0
17 mol 273 unq 1 iso 0 dist 8.14068 10.7155 6.38341 15.8746 9.18157 9.40198 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 5.72538 3.81488 8.42076 5.87174 6.89451 8.60619 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 5.72538 3.81488 8.42076 5.87174 6.89451 8.60619 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 5.72538 3.81488 8.42076 5.87174 6.89451 8.60619 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 6.39535 4.5463 6.60049 6.90369 9.88863 6.94727 numMergedOcc 0
