0 mol 30 unq 0 iso 0 dist 5.9581 4.1735 9.77521 3.68549 5.39896 7.47342 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 6.57953 5.40021 6.86785 9.00028 6.55558 7.1203 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 5.88647 5.50284 8.71615 5.48831 5.46166 6.7212 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 5.88647 5.50284 8.71615 9.39178 5.58151 9.08821 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.81722 17.1706 7.84699 14.5044 8.04817 6.10011 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.81722 17.1706 7.84699 10.4812 5.2774 8.124 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.27446 10.116 8.40844 13.2197 9.76331 6.10011 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.27446 10.116 8.40844 11.3406 5.44275 8.124 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 8.27446 8.54022 7.02351 16.3874 11.2674 8.16299 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 9.76332 10.116 6.99156 13.2197 10.4402 6.10011 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 9.76332 10.116 6.99156 11.3406 8.0624 8.124 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 8.63253 5.89461 9.61113 10.3909 13.5433 7.42187 numMergedOcc 0
12 mol 102 unq 1 iso 0 dist 8.63253 8.38008 7.73836 8.84131 6.42572 9.84673 numMergedOcc 0
13 mol 102 unq 2 iso 0 dist 5.15752 5.89461 7.59973 10.3909 8.51668 7.42187 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 8.0631 9.13942 8.16113 10.8716 5.71451 6.04412 numMergedOcc 0
15 mol 124 unq 0 iso 0 dist 8.25764 5.87352 5.61764 6.71293 5.31501 6.35314 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 8.81385 7.13239 7.10689 10.9296 8.81265 8.7419 numMergedOcc 0
17 mol 222 unq 1 iso 0 dist 8.81385 7.13239 7.10689 7.88846 4.28891 8.5834 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 8.25956 6.60526 5.10595 11.0754 5.11366 5.3051 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 8.88613 7.47139 8.26695 11.3698 12.0757 5.82876 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 8.88613 7.47139 8.26695 11.5347 16.0765 8.71129 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 7.64708 5.57184 8.83777 11.9617 12.7283 7.07459 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 5.73065 5.57184 9.42812 11.9617 13.8339 7.07459 numMergedOcc 0
