0 mol 34 unq 0 iso 0 dist 9.12062 4.97286 5.70643 6.00825 5.68877 4.50643 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.7961 9.75898 15.9972 12.8877 19.4125 7.67252 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.73902 9.03899 4.0144 4.83564 6.14602 6.11574 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 6.46901 9.37127 4.5746 10.2246 11.2887 9.52298 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 9.30547 9.37127 8.38581 10.2246 15.0951 9.52298 numMergedOcc 0
5 mol 52 unq 0 iso 0 dist 8.72191 8.30668 4.46374 6.773 10.6977 9.34071 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 6.26722 8.58727 14.3686 7.22293 13.2121 5.92836 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 6.72426 8.95171 4.20708 13.2289 9.13184 5.50879 numMergedOcc 0
8 mol 156 unq 1 iso 0 dist 6.72426 8.95171 4.20708 6.91184 7.27593 6.69157 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 6.22466 5.82681 7.99002 4.95637 11.1549 7.6409 numMergedOcc 0
10 mol 209 unq 0 iso 0 dist 6.3344 8.9906 9.9501 13.8836 14.4387 8.8886 numMergedOcc 0
11 mol 209 unq 1 iso 0 dist 6.3344 8.9906 9.9501 15.5731 17.5366 8.78565 numMergedOcc 0
12 mol 240 unq 0 iso 0 dist 8.96064 5.84605 3.96088 5.01224 7.61364 6.50985 numMergedOcc 0
13 mol 241 unq 0 iso 0 dist 5.66945 9.89398 8.94039 4.51587 7.30582 8.00841 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 7.46 8.88803 9.87568 5.14726 10.5291 8.13605 numMergedOcc 0
15 mol 260 unq 1 iso 0 dist 6.71406 8.88803 9.94594 5.14726 11.2048 8.13605 numMergedOcc 0
16 mol 271 unq 0 iso 0 dist 9.27556 6.56531 5.60228 5.22029 8.54162 5.76281 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 6.58667 4.66834 4.80425 5.57184 10.5382 6.40125 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 6.58667 4.66834 4.80425 10.4217 9.027 7.25282 numMergedOcc 0
19 mol 277 unq 2 iso 0 dist 6.01542 4.66834 9.70521 5.57184 7.91992 6.40125 numMergedOcc 0
20 mol 277 unq 3 iso 0 dist 6.01542 4.66834 9.70521 10.4217 16.3394 7.25282 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 8.35178 6.99084 4.03583 7.01799 11.9674 8.5458 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 8.35178 6.99084 4.03583 8.22833 12.0413 8.56533 numMergedOcc 0
23 mol 287 unq 2 iso 0 dist 8.35178 5.1936 5.24841 7.01799 11.9674 8.47385 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 8.35178 6.99084 4.03583 7.01799 11.9674 8.5458 numMergedOcc 0
25 mol 288 unq 1 iso 0 dist 8.35178 6.99084 4.03583 8.22833 12.0413 8.56533 numMergedOcc 0
26 mol 288 unq 2 iso 0 dist 8.35178 5.1936 5.24841 7.01799 11.9674 8.47385 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 8.35178 6.99084 4.03583 7.01799 11.9674 8.5458 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 8.35178 6.99084 4.03583 8.22833 12.0413 8.56533 numMergedOcc 0
29 mol 289 unq 2 iso 0 dist 8.35178 5.1936 5.24841 7.01799 11.9674 8.47385 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 8.99187 9.89794 11.7378 7.74874 13.2321 9.60309 numMergedOcc 0
