0 mol 54 unq 0 iso 0 dist 7.19193 9.83754 4.5888 4.07894 7.42609 11.2811 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 7.19193 5.01162 9.14821 4.07894 7.42609 9.06005 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.91313 9.82315 6.47853 7.49081 9.70415 5.92705 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 9.56911 9.28585 8.74347 5.36296 8.44515 11.0606 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 8.85708 9.33403 8.93179 4.60144 8.81172 12.1493 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.27253 5.28955 4.92027 10.7421 7.85527 9.93703 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 8.53875 6.32669 8.28737 12.0003 7.97349 10.2474 numMergedOcc 0
7 mol 154 unq 0 iso 0 dist 6.59749 7.31277 5.21599 5.88662 8.34737 10.7167 numMergedOcc 0
8 mol 154 unq 1 iso 0 dist 6.59749 7.31277 5.21599 5.66224 8.5163 11.8382 numMergedOcc 0
9 mol 185 unq 0 iso 0 dist 7.18997 5.40655 4.66784 6.98598 9.87065 10.8852 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 6.64749 9.89709 7.89295 5.97308 5.16813 12.4627 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 9.39697 9.0153 13.0454 8.95444 8.3705 12.8586 numMergedOcc 0
12 mol 212 unq 0 iso 0 dist 8.85976 9.66798 3.81896 14.7053 9.47932 13.1777 numMergedOcc 0
13 mol 256 unq 0 iso 0 dist 8.88264 9.71499 13.594 6.4717 5.98967 14.0951 numMergedOcc 0
14 mol 258 unq 0 iso 0 dist 6.41167 9.4886 7.55896 7.52881 8.21585 14.2477 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 5.16838 5.45793 9.33289 4.62072 5.75874 9.74679 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 8.6462 8.22353 4.3101 7.73011 8.57445 9.72927 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 8.12461 7.52227 5.76075 5.58906 8.82899 6.60309 numMergedOcc 0
