0 mol 17 unq 0 iso 0 dist 9.38298 9.55169 13.5023 11.1352 8.58468 14.7534 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.38298 9.45609 14.3796 11.1352 8.58468 17.8777 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.03345 9.27448 10.9099 4.44274 8.34763 13.6475 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 7.03345 9.07927 9.39124 4.44274 8.34763 13.0003 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 7.03345 8.50987 7.11047 4.44274 8.34763 11.2263 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 5.2296 9.27448 11.1747 4.44274 5.66008 13.6475 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 5.2296 9.07927 11.898 4.44274 5.66008 13.0003 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 5.2296 8.50987 10.7715 4.44274 5.66008 11.2263 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 5.47819 7.89001 4.12189 4.78617 5.99879 9.72013 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 9.49371 5.17291 7.84269 6.4157 7.63813 9.40675 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 5.05941 8.81569 7.84269 7.10225 7.63813 9.40675 numMergedOcc 0
11 mol 170 unq 0 iso 0 dist 5.13315 7.665 4.81264 5.57652 6.3247 10.8215 numMergedOcc 0
12 mol 206 unq 0 iso 0 dist 5.90912 6.18991 4.88904 6.87757 8.37024 10.2444 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 4.85533 8.67044 7.76105 4.34513 5.53162 10.9853 numMergedOcc 0
14 mol 243 unq 0 iso 0 dist 6.0854 8.19458 7.07529 6.96883 8.82741 9.39147 numMergedOcc 0
15 mol 243 unq 1 iso 0 dist 6.0854 8.19458 7.07529 7.37893 4.88105 7.70059 numMergedOcc 0
16 mol 243 unq 2 iso 0 dist 6.0854 8.19458 7.07529 13.8237 9.44057 12.5195 numMergedOcc 0
17 mol 243 unq 3 iso 0 dist 6.0854 9.45133 9.86055 6.96883 8.82741 13.0632 numMergedOcc 0
18 mol 243 unq 4 iso 0 dist 6.0854 9.45133 9.86055 7.37893 4.88105 12.0568 numMergedOcc 0
19 mol 243 unq 5 iso 0 dist 6.0854 9.45133 9.86055 13.8237 9.44057 17.2117 numMergedOcc 0
20 mol 243 unq 6 iso 0 dist 7.86504 8.19458 4.67674 7.37893 9.01318 7.70059 numMergedOcc 0
21 mol 243 unq 7 iso 0 dist 7.86504 9.45133 5.00798 7.37893 9.01318 12.0568 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 4.98594 8.82941 10.7574 4.00824 7.27283 12.4613 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 4.98594 8.82941 10.7574 6.68601 8.35447 14.0278 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 8.36667 9.60619 9.98703 8.0951 9.10723 7.63115 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 6.74021 9.60619 11.6718 4.30447 7.81641 13.8597 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 8.56807 8.54692 4.81126 4.81963 9.44726 7.11081 numMergedOcc 0
