0 mol 76 unq 0 iso 0 dist 7.52544 6.1691 7.02854 13.0583 8.04327 9.06225 9.39338 12.6371 9.45905 17.6911 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 8.60438 4.77259 6.6146 8.91055 4.59148 9.28585 10.9414 6.63999 9.46251 6.91704 numMergedOcc 0
2 mol 141 unq 0 iso 0 dist 8.04823 10.9571 8.56593 6.4822 3.56357 6.32669 10.7152 6.50283 7.83578 5.05068 numMergedOcc 0
3 mol 148 unq 0 iso 0 dist 6.17633 9.59882 9.71692 16.5435 14.778 9.22427 14.0097 11.2206 6.58752 5.13979 numMergedOcc 0
4 mol 148 unq 1 iso 0 dist 9.32264 9.435 9.71692 17.9836 14.778 9.22427 15.2159 11.2206 6.58752 5.13979 numMergedOcc 0
5 mol 150 unq 0 iso 0 dist 6.20295 9.57563 9.73708 16.6715 14.922 9.32504 13.9811 11.1844 6.62442 5.23046 numMergedOcc 0
6 mol 150 unq 1 iso 0 dist 9.34249 9.39127 9.73708 18.114 14.922 9.32504 15.1828 11.1844 6.62442 5.23046 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 9.99051 15.1546 9.94142 17.7062 10.2313 9.12583 16.8949 12.085 8.51847 4.96523 numMergedOcc 0
8 mol 212 unq 0 iso 0 dist 8.53152 13.207 9.26387 12.2251 7.5418 7.73701 15.4115 7.14115 9.12948 7.59302 numMergedOcc 0
9 mol 218 unq 0 iso 0 dist 6.35646 5.01938 4.61671 6.44877 7.15853 6.2441 10.1075 5.88377 8.73468 6.63238 numMergedOcc 0
10 mol 218 unq 1 iso 0 dist 5.59354 5.01938 8.44004 6.44877 5.7173 6.2441 10.1075 7.38609 8.73468 6.63238 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 8.4319 6.72716 9.59937 10.6911 6.54316 8.68803 6.35005 10.6145 9.05655 9.67509 numMergedOcc 0
12 mol 259 unq 0 iso 0 dist 9.98041 11.5702 6.76656 12.6191 5.73217 5.98006 16.4932 9.68247 6.13752 5.30516 numMergedOcc 0
