0 mol 54 unq 0 iso 0 dist 9.5915 5.97635 9.88291 6.76462 11.4465 6.83299 4.38047 12.377 4.29856 6.14538 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 4.67917 6.65344 5.34079 13.1729 12.5028 7.71095 16.2055 14.4223 9.64444 6.73347 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 6.88924 6.65344 6.11334 13.1729 13.6406 7.71095 16.2055 13.7616 9.64444 6.73347 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 8.36326 9.65047 16.7208 5.69671 12.7234 8.03644 9.49995 10.2414 11.4333 9.49454 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 7.12336 5.86531 5.37072 6.26797 9.50322 7.11802 14.2733 16.7326 16.0138 9.22232 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 7.12336 5.86531 5.37072 6.26797 9.50322 7.11802 6.42904 10.2948 5.92062 9.22661 numMergedOcc 0
6 mol 133 unq 2 iso 0 dist 7.12336 5.86531 5.37072 6.26797 9.50322 7.11802 10.0298 11.6924 6.61891 7.56378 numMergedOcc 0
7 mol 133 unq 3 iso 0 dist 7.12336 5.82404 9.73435 10.2385 15.5083 6.29155 6.72323 12.6435 4.54648 6.16242 numMergedOcc 0
8 mol 133 unq 4 iso 0 dist 7.12336 5.82404 9.73435 4.64588 11.5178 6.80239 6.72323 12.6435 4.54648 5.87634 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 9.718 8.62103 14.2438 3.84723 11.8313 6.18308 10.7279 15.6201 5.87279 7.10826 numMergedOcc 0
10 mol 210 unq 1 iso 0 dist 8.61629 8.62103 11.4281 3.84723 10.4825 6.18308 10.7279 14.0344 5.87279 7.10826 numMergedOcc 0
11 mol 235 unq 0 iso 0 dist 8.92054 8.48065 6.84447 5.23741 9.11256 5.4638 10.8785 3.93066 7.60081 9.55668 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 7.82564 9.94315 5.65577 12.521 10.2894 5.72887 20.4128 18.6863 14.7883 9.24557 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 9.51177 8.59074 5.65577 9.18011 10.2894 5.72887 16.6167 18.6863 14.7883 9.24557 numMergedOcc 0
14 mol 238 unq 2 iso 0 dist 9.91136 9.94315 10.5703 12.521 14.3542 5.72887 20.4128 21.5982 14.7883 9.24557 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 8.37512 5.73834 4.16729 6.48867 9.98141 6.60405 8.63176 5.32742 5.63675 7.21311 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 9.05363 5.90645 6.64729 10.4985 8.06771 8.13497 13.1095 5.61261 8.41846 7.98231 numMergedOcc 0
17 mol 292 unq 0 iso 0 dist 8.35169 9.30668 5.58251 8.04474 7.53641 8.2734 13.7647 8.46139 10.8848 7.07965 numMergedOcc 0
