0 mol 44 unq 0 iso 0 dist 6.21423 9.45566 6.30672 4.83412 7.42925 7.48846 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 8.55031 9.50444 9.9271 5.65462 9.81193 14.2871 numMergedOcc 0
2 mol 108 unq 0 iso 0 dist 9.82453 9.39566 6.32505 13.9156 8.06774 12.0012 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 9.79844 8.48774 6.14126 17.8562 9.10677 15.0066 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 6.30128 6.09626 4.6963 12.1893 9.75656 13.1226 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 5.28955 8.75431 5.01597 4.09788 6.13508 7.20249 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 9.44788 9.34823 11.5937 6.49348 5.58734 13.0074 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 5.4772 8.87314 5.85033 6.09348 6.84818 11.0626 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 6.00651 9.41073 12.6092 7.38323 5.08863 15.7997 numMergedOcc 0
9 mol 147 unq 1 iso 0 dist 8.52428 9.41073 7.24469 6.78733 9.21191 11.7749 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 5.55129 9.80819 11.2269 5.03347 7.32163 13.294 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 5.53778 9.81665 11.1674 4.80033 7.42372 13.1112 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 4.96259 6.95568 5.87168 3.97538 5.67112 5.94379 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 6.09754 5.86419 5.42117 8.35349 6.05667 10.6839 numMergedOcc 0
14 mol 274 unq 0 iso 0 dist 8.14634 9.11072 14.7933 5.15747 9.02661 6.88827 numMergedOcc 0
15 mol 274 unq 1 iso 0 dist 8.14634 6.83113 7.09841 5.15747 9.02661 9.16942 numMergedOcc 0
16 mol 274 unq 2 iso 0 dist 8.14634 9.44134 13.8495 5.15747 9.02661 12.0228 numMergedOcc 0
