0 mol 11 unq 0 iso 0 dist 9.07476 5.8961 6.84216 5.23547 9.89425 4.10106 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 6.09533 6.47139 9.1397 3.91445 9.46349 5.67577 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 8.93826 4.75787 6.09002 9.42081 7.99756 7.06175 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 8.93826 4.75787 6.09002 5.6647 4.36087 3.79581 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 7.17695 6.21227 6.09002 9.45728 7.99756 7.06175 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 7.17695 6.21227 6.09002 4.76485 4.36087 3.79581 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 7.36836 5.66535 9.99939 6.99091 7.34832 7.7766 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 6.46582 8.78063 7.61521 11.3491 9.57759 4.09069 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 7.74924 5.77535 7.51733 3.60451 4.3439 4.99174 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 7.74924 5.77535 7.51733 8.25253 6.05855 4.46005 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 7.74924 9.35848 9.01607 3.60451 4.3439 8.67311 numMergedOcc 0
11 mol 95 unq 3 iso 0 dist 7.74924 9.35848 9.01607 8.25253 6.05855 3.94293 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 9.86767 4.36935 9.59585 7.09333 4.30875 5.70579 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.42225 7.38295 4.80684 5.99531 4.55071 6.30721 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.42225 15.0071 7.60162 5.99531 4.55071 10.5082 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 8.03124 6.81949 8.38358 4.22448 9.98772 7.64591 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 6.48066 6.59758 7.48734 9.43003 7.0961 4.67135 numMergedOcc 0
17 mol 168 unq 1 iso 0 dist 6.48066 6.59758 7.48734 8.01699 8.21227 13.2594 numMergedOcc 0
18 mol 168 unq 2 iso 0 dist 6.48066 6.59758 7.48734 9.98239 6.53038 11.6594 numMergedOcc 0
19 mol 168 unq 3 iso 0 dist 6.48066 5.81821 5.6125 9.43003 7.0961 9.87321 numMergedOcc 0
20 mol 168 unq 4 iso 0 dist 6.48066 5.81821 5.6125 8.01699 8.21227 10.7557 numMergedOcc 0
21 mol 168 unq 5 iso 0 dist 6.48066 5.81821 5.6125 9.98239 6.53038 5.16335 numMergedOcc 0
22 mol 169 unq 0 iso 0 dist 9.58901 4.34424 9.37946 7.0638 4.11374 5.7891 numMergedOcc 0
23 mol 184 unq 0 iso 0 dist 9.10344 4.41193 8.22001 6.60692 7.25623 4.08775 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 9.14525 4.94882 5.90765 5.22626 8.92135 3.90244 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 8.93485 4.2475 9.31158 6.10058 7.68686 8.97813 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 5.66636 6.8901 9.31158 3.50446 7.68686 8.97813 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 4.90656 4.82768 5.1609 4.91709 8.88902 6.84862 numMergedOcc 0
