0 mol 25 unq 0 iso 0 dist 6.23095 6.06832 5.81959 11.9439 10.6808 6.90155 6.74298 5.52519 5.44124 7.19007 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.21595 5.77009 8.7817 9.60744 5.26258 7.55415 12.8569 14.3077 7.57624 10.3139 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 9.60744 5.77009 7.55415 8.21595 5.26258 8.7817 12.8569 10.3139 7.57624 14.3077 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 6.86731 8.13252 9.16649 10.0639 5.59383 9.53458 9.54121 5.65461 6.83373 7.72347 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.124 16.0036 8.73253 10.1112 5.4148 7.04044 16.0125 10.4159 9.22853 8.00278 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.62648 8.9683 8.56342 11.5266 4.85907 7.99857 13.8337 6.42493 8.81779 4.55137 numMergedOcc 0
6 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 12.2067 7.31409 7.71426 12.6173 11.8746 7.75632 8.62666 numMergedOcc 0
7 mol 171 unq 1 iso 0 dist 7.13441 6.15895 5.10618 14.894 13.7214 9.86681 12.6173 11.8746 7.75632 9.0509 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 6.15806 6.37333 5.60393 12.9169 7.38516 8.44861 8.09352 9.41884 6.61806 12.2848 numMergedOcc 0
9 mol 205 unq 1 iso 0 dist 6.15806 6.37333 5.60393 12.9169 7.38516 8.44861 14.0968 12.3578 7.85966 9.73907 numMergedOcc 0
10 mol 227 unq 0 iso 0 dist 9.60159 11.2986 8.38865 12.0857 5.22356 5.4694 13.5176 6.21901 7.14633 6.29394 numMergedOcc 0
11 mol 227 unq 1 iso 0 dist 9.60159 11.2986 8.38865 12.0857 5.22356 5.4694 12.484 13.798 9.94302 10.9445 numMergedOcc 0
12 mol 240 unq 0 iso 0 dist 9.68888 17.2138 9.47583 13.7335 4.28414 8.44909 15.7896 11.6095 7.35934 11.9494 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 8.21585 12.2193 7.99477 10.7821 7.26417 6.70815 16.3401 8.40328 8.65191 9.34197 numMergedOcc 0
14 mol 276 unq 0 iso 0 dist 8.54938 5.38576 7.88706 11.8795 10.6102 6.70215 10.1999 13.2807 9.2211 13.6248 numMergedOcc 0
15 mol 276 unq 1 iso 0 dist 8.54938 5.38576 7.88706 11.2326 6.19843 7.25423 10.1999 13.2807 9.2211 13.7566 numMergedOcc 0
16 mol 276 unq 2 iso 0 dist 8.54938 5.38576 7.88706 11.2314 12.4616 7.23916 10.1999 13.2807 9.2211 6.04845 numMergedOcc 0
17 mol 278 unq 0 iso 0 dist 7.58272 12.325 7.67245 13.0289 5.74345 9.12395 13.5715 7.0588 7.92718 3.65013 numMergedOcc 0
