0 mol 7 unq 0 iso 0 dist 6.10226 9.49401 6.46501 11.2808 6.0323 10.5066 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.80034 9.49401 5.25379 9.77686 8.85869 13.0802 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.83056 9.49401 9.14866 9.77686 7.5298 13.0802 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.83056 9.49401 9.14866 16.9579 8.94874 17.164 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 5.23215 5.22453 4.97535 5.05355 9.32305 9.82678 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 8.51968 7.27643 4.97535 7.15526 9.32305 9.82678 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 9.69419 9.60864 7.0262 10.4981 5.90391 10.5379 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 9.69419 9.60864 7.0262 5.04589 8.82771 10.2516 numMergedOcc 0
8 mol 55 unq 0 iso 0 dist 6.71884 9.3341 13.8239 5.56177 8.96223 13.2218 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 6.77889 8.9967 6.14427 10.3871 7.8034 12.7271 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 8.74611 6.29351 4.78734 6.05606 6.47989 6.00295 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.4588 7.77211 10.7455 13.4487 8.40343 16.619 numMergedOcc 0
12 mol 209 unq 0 iso 0 dist 8.50624 8.8483 6.88424 10.9449 7.757 14.1864 numMergedOcc 0
13 mol 209 unq 1 iso 0 dist 8.50624 8.8483 6.88424 12.1135 9.56015 15.5527 numMergedOcc 0
14 mol 223 unq 0 iso 0 dist 6.33896 8.73987 9.31513 4.88048 8.8009 13.6157 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 5.47448 7.62513 7.03654 6.25949 7.8316 6.74625 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 5.62744 9.26512 13.0625 5.32735 4.21935 10.3846 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 5.62744 9.2495 5.51771 5.32735 4.21935 9.25097 numMergedOcc 0
18 mol 239 unq 2 iso 0 dist 5.62744 5.82804 4.88461 5.32735 4.21935 8.24494 numMergedOcc 0
19 mol 282 unq 0 iso 0 dist 5.72197 9.88071 10.8394 4.87828 6.40686 14.2868 numMergedOcc 0
