0 mol 15 unq 0 iso 0 dist 5.19544 7.42909 6.88546 5.70754 5.69755 5.68079 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 5.31016 5.91275 9.18836 13.0894 15.3135 8.45859 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 6.88374 4.44905 5.55574 9.54314 7.1742 6.89855 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 6.85867 5.53481 7.01545 9.40699 5.46401 5.6516 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 5.51406 6.16048 6.93893 13.3153 12.8723 8.91998 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.11127 4.24483 5.74593 8.39069 3.98877 4.91714 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 6.37888 6.18402 5.74593 5.48163 3.98877 4.91714 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 7.11438 11.011 5.74593 7.7399 3.98877 4.91714 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 6.91655 4.24483 8.02376 8.39069 8.90513 4.91714 numMergedOcc 0
9 mol 92 unq 4 iso 0 dist 9.18898 4.68995 6.15654 10.7677 3.87825 6.61645 numMergedOcc 0
10 mol 92 unq 5 iso 0 dist 7.67331 4.68995 7.89887 10.7677 8.8033 6.61645 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 7.4518 8.97237 7.8962 5.10693 4.34681 8.55758 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 7.4518 8.97237 7.8962 6.58814 5.73248 7.44027 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 9.25249 6.99582 7.48563 9.68556 3.61204 9.45257 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 8.41411 4.34199 7.48563 8.73928 3.61204 9.45257 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 8.27794 7.3536 4.86767 8.66766 3.67473 7.4113 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 7.6005 16.186 9.2638 21.0927 14.6696 9.12145 numMergedOcc 0
17 mol 116 unq 1 iso 0 dist 7.6005 16.186 9.2638 15.1061 8.478 8.11048 numMergedOcc 0
18 mol 116 unq 2 iso 0 dist 8.7583 17.5453 9.2638 23.3303 14.6696 9.12145 numMergedOcc 0
19 mol 116 unq 3 iso 0 dist 8.7583 17.5453 9.2638 16.6812 8.478 8.11048 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.20646 5.6932 7.2843 11.9436 4.87674 7.90621 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 9.20646 5.6932 7.2843 12.7238 8.72129 8.0943 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 8.62191 4.72843 9.46973 10.076 8.51539 9.41594 numMergedOcc 0
23 mol 204 unq 1 iso 0 dist 8.62191 4.72843 9.46973 8.29256 9.07662 9.92651 numMergedOcc 0
24 mol 233 unq 0 iso 0 dist 9.73592 4.69192 9.83883 10.4612 5.24709 8.2484 numMergedOcc 0
25 mol 244 unq 0 iso 0 dist 8.08939 16.7895 9.97458 16.8096 11.7712 9.3491 numMergedOcc 0
26 mol 244 unq 1 iso 0 dist 7.33574 15.1633 9.97458 18.5326 11.7712 9.3491 numMergedOcc 0
27 mol 253 unq 0 iso 0 dist 9.34735 9.53082 8.64294 13.7898 5.35601 9.80396 numMergedOcc 0
28 mol 253 unq 1 iso 0 dist 9.34735 9.53082 8.64294 8.71119 6.06804 6.3093 numMergedOcc 0
29 mol 253 unq 2 iso 0 dist 9.69704 13.127 9.29788 13.0422 5.68255 6.93942 numMergedOcc 0
30 mol 253 unq 3 iso 0 dist 9.69704 13.127 9.29788 14.6232 5.57952 9.05161 numMergedOcc 0
31 mol 253 unq 4 iso 0 dist 9.69704 14.7487 9.50983 13.0422 5.68255 9.31626 numMergedOcc 0
32 mol 253 unq 5 iso 0 dist 9.69704 14.7487 9.50983 14.6232 5.57952 9.77366 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 6.60049 9.28841 8.67838 9.52066 4.30125 9.29687 numMergedOcc 0
