0 mol 39 unq 0 iso 0 dist 8.28439 8.65907 8.19733 6.89518 6.24515 5.14532 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 6.94727 9.16258 7.95778 7.0262 7.21995 6.19841 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 6.94727 9.16258 7.95778 11.6776 9.62637 10.493 numMergedOcc 0
3 mol 111 unq 0 iso 0 dist 4.9128 7.13575 9.41723 5.67736 9.10794 7.97939 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.25207 11.1685 9.4062 11.4461 6.51868 4.35684 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 8.25207 11.1685 9.4062 15.3902 7.34698 11.668 numMergedOcc 0
6 mol 159 unq 0 iso 0 dist 9.66843 8.3352 7.13269 9.15107 5.9032 7.97232 numMergedOcc 0
7 mol 173 unq 0 iso 0 dist 9.25763 10.3324 7.54706 15.3501 8.41245 9.77146 numMergedOcc 0
8 mol 173 unq 1 iso 0 dist 9.25763 10.3324 7.54706 15.5823 6.64779 9.43677 numMergedOcc 0
9 mol 173 unq 2 iso 0 dist 9.63102 8.36814 7.54706 15.9805 8.41245 9.77146 numMergedOcc 0
10 mol 173 unq 3 iso 0 dist 9.63102 8.36814 7.54706 14.7982 6.64779 9.43677 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 8.55725 10.7217 9.79691 8.94335 9.82588 11.4252 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 8.34104 7.69431 7.1372 5.75236 7.57454 4.59123 numMergedOcc 0
13 mol 235 unq 0 iso 0 dist 8.60471 10.9906 9.31673 13.3219 7.31773 5.92143 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 5.73804 7.38401 8.8827 11.6736 7.02079 12.6361 numMergedOcc 0
15 mol 239 unq 1 iso 0 dist 5.73804 7.38401 8.8827 5.20078 5.88802 4.04521 numMergedOcc 0
16 mol 273 unq 0 iso 0 dist 6.06557 7.32607 6.94131 6.30473 8.85779 9.76492 numMergedOcc 0
17 mol 273 unq 1 iso 0 dist 6.06557 9.28683 9.84628 6.30473 8.85779 13.6188 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 6.73204 8.7465 7.25677 5.10104 6.43034 5.43373 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 6.73204 11.1293 6.73126 5.10104 6.43034 7.17477 numMergedOcc 0
