0 mol 28 unq 0 iso 0 dist 8.77833 15.1315 8.70005 21.0145 13.0423 9.83168 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 6.73832 11.6727 7.02351 20.0111 14.5875 8.40844 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 6.73832 11.6727 7.02351 12.649 12.3241 8.66342 numMergedOcc 0
3 mol 86 unq 0 iso 0 dist 8.43052 6.24673 9.29934 8.45348 5.19555 6.7293 numMergedOcc 0
4 mol 86 unq 1 iso 0 dist 8.45348 6.24673 6.7293 8.43052 5.19555 9.29934 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.20574 12.1717 8.6728 16.8981 11.7765 7.26246 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 4.84683 6.43211 9.61113 11.9011 12.0662 7.73836 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 9.67137 13.8016 9.64304 16.287 10.6764 6.6081 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 7.77423 14.7064 8.26291 21.0672 13.7304 7.86001 numMergedOcc 0
9 mol 211 unq 0 iso 0 dist 9.49714 11.4045 5.42004 13.556 5.16245 9.63472 numMergedOcc 0
10 mol 211 unq 1 iso 0 dist 9.49714 11.4045 5.42004 15.6254 9.68345 9.63103 numMergedOcc 0
11 mol 211 unq 2 iso 0 dist 9.49714 13.8833 7.73993 13.556 5.16245 7.15386 numMergedOcc 0
12 mol 211 unq 3 iso 0 dist 9.49714 13.8833 7.73993 17.4332 8.05917 9.45365 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 8.32947 4.57948 9.59565 10.4196 7.84836 9.96759 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 8.38487 7.15301 9.96759 10.2726 7.84836 9.59565 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 5.71012 8.80297 9.64886 13.8378 9.90349 9.56414 numMergedOcc 0
16 mol 261 unq 1 iso 0 dist 8.60739 8.44258 9.64886 10.7607 9.90349 9.56414 numMergedOcc 0
