0 mol 21 unq 0 iso 0 dist 8.64125 5.88425 7.92633 6.5268 9.39415 10.7452 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.62547 11.0109 9.75003 11.4833 7.56581 16.7397 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 9.62547 11.0109 9.75003 12.9695 9.22021 17.2265 numMergedOcc 0
3 mol 54 unq 2 iso 0 dist 9.62547 13.409 6.95846 11.4833 7.56581 11.9881 numMergedOcc 0
4 mol 54 unq 3 iso 0 dist 9.62547 13.409 6.95846 12.9695 9.22021 10.3564 numMergedOcc 0
5 mol 54 unq 4 iso 0 dist 9.67835 8.65277 9.81224 5.40129 5.63261 5.29727 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.02043 5.41081 5.84829 15.5661 7.48658 10.9449 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 9.02043 5.41081 5.84829 8.70944 7.20279 5.51133 numMergedOcc 0
8 mol 108 unq 0 iso 0 dist 7.98387 7.11834 9.4344 8.26912 9.56285 12.692 numMergedOcc 0
9 mol 110 unq 0 iso 0 dist 7.03256 9.40358 4.9088 9.48357 8.76445 9.01856 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 6.10606 14.033 9.77739 10.5681 7.12045 5.9892 numMergedOcc 0
11 mol 178 unq 1 iso 0 dist 6.10606 14.033 9.77739 9.1499 8.94945 8.88181 numMergedOcc 0
12 mol 206 unq 0 iso 0 dist 4.69403 8.8592 8.13196 4.22704 6.20349 11.2111 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 6.03201 12.7518 7.84904 11.4665 5.45139 5.29737 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 6.03201 12.7518 7.84904 5.71752 8.10769 15.9383 numMergedOcc 0
15 mol 245 unq 0 iso 0 dist 9.44136 13.8285 7.21119 13.956 8.49651 10.8672 numMergedOcc 0
16 mol 248 unq 0 iso 0 dist 9.44259 11.1844 6.43336 6.42334 9.12664 10.9137 numMergedOcc 0
17 mol 248 unq 1 iso 0 dist 9.44259 11.1844 6.43336 6.86606 6.51383 5.35181 numMergedOcc 0
18 mol 256 unq 0 iso 0 dist 9.67921 8.44971 6.5266 16.2122 9.72168 9.07441 numMergedOcc 0
