0 mol 24 unq 0 iso 0 dist 9.22152 7.06532 10.658 5.75653 13.3202 8.23446 11.0381 18.4364 13.1779 5.54419 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.22152 7.06532 10.658 5.75653 13.3202 8.23446 5.87895 6.7228 6.38336 7.36323 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 5.66803 9.23947 8.95689 5.59762 9.21546 9.97159 5.54343 5.9853 6.21578 9.67592 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.90896 6.66506 5.00474 12.8388 11.6724 9.24757 5.79954 4.78435 5.11416 9.96396 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.90896 6.66506 5.00474 12.8388 11.6724 9.24757 10.4766 6.33833 6.56633 6.19304 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.90896 6.66506 5.00474 12.8388 11.6724 9.24757 15.4777 18.4819 15.3808 8.70481 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.15664 8.96747 4.92054 6.09495 7.11695 8.91313 10.869 14.4144 17.5889 9.33898 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 8.15664 8.96747 4.92054 6.09495 7.11695 8.91313 14.4679 9.54167 13.3881 9.64443 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.52754 6.56978 5.02461 13.2001 10.9423 7.80975 13.4881 6.54035 7.97897 8.87449 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 9.52754 6.56978 5.02461 6.23541 10.3583 7.10378 13.0766 12.6232 10.6848 7.17106 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 7.1859 7.73086 4.93063 4.51951 8.65215 6.98314 10.0014 9.17843 5.53055 6.57035 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 9.52061 7.32407 7.72162 5.99695 8.59695 9.36851 10.482 6.13737 10.7293 5.83384 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 9.52061 6.48695 7.95267 5.99695 8.59695 4.97175 10.482 6.13737 7.29399 5.83384 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 7.03107 8.79832 11.4777 7.42609 9.81041 9.77896 6.6776 4.51101 8.29015 6.57069 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 9.52029 9.46973 4.29037 18.5654 9.44947 9.68728 16.9329 10.5243 7.67571 7.10633 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 9.52029 9.46973 4.29037 18.5654 9.44947 9.68728 17.8571 10.2677 10.8573 8.51516 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 9.89039 7.46122 9.36068 10.6943 15.6403 6.59716 8.9077 13.6952 7.11498 9.23153 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 8.57174 7.46122 15.6078 10.6943 18.2814 6.59716 8.9077 13.8822 7.11498 9.23153 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 6.77822 9.25162 9.4234 16.9877 18.0287 9.05071 14.8591 17.4863 8.80479 8.27212 numMergedOcc 0
