0 mol 54 unq 0 iso 0 dist 8.34361 4.94741 6.10175 5.97635 5.65405 5.59773 10.7219 14.4402 13.9079 9.5589 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 8.34361 4.94741 6.10175 5.97635 5.65405 5.59773 6.76462 10.5929 10.4238 6.83299 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 8.34361 4.94741 6.10175 5.97635 5.65405 5.59773 13.2619 6.54183 10.1356 8.10861 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.03472 8.39416 4.85152 15.5748 11.1785 9.514 18.9765 11.1915 11.8037 7.4729 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.40274 10.4946 4.85152 17.5033 11.1785 9.514 19.9708 11.1915 11.8037 7.4729 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 8.85708 8.3896 5.24519 11.3462 5.34484 7.70533 4.60144 8.81172 6.29427 9.84395 numMergedOcc 0
6 mol 117 unq 1 iso 0 dist 8.85708 8.3896 5.24519 11.3462 5.34484 7.70533 13.5681 11.6152 14.3476 7.90328 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 4.69926 9.75051 8.26291 13.5125 10.9365 7.83619 12.3995 13.2314 10.0837 9.28393 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 7.46875 6.68239 5.50364 7.81337 5.29825 8.97145 11.4498 12.0117 14.257 6.85062 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 7.46875 7.74794 8.7301 7.81337 5.29825 6.5874 11.4498 12.0117 7.60371 6.85062 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 8.43256 4.85698 8.39634 12.4136 9.72213 9.00898 9.63193 13.5463 5.96451 9.29945 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 8.14202 5.60933 8.39634 10.1817 9.72213 9.00898 8.97821 13.5463 5.96451 9.29945 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 7.71569 8.72971 5.69733 5.36829 5.68711 8.49704 11.7583 13.6328 12.4611 9.65138 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 7.71569 8.72971 5.69733 5.36829 5.68711 8.49704 4.98764 11.6154 11.832 7.14453 numMergedOcc 0
14 mol 214 unq 2 iso 0 dist 7.71569 8.72971 5.69733 5.36829 5.68711 8.49704 12.3481 11.5105 10.644 8.85478 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 8.18597 7.03513 7.99145 8.7511 5.841 9.17826 12.4497 14.1483 16.2594 9.34734 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 8.18597 7.03513 7.99145 8.7511 5.841 9.17826 14.2737 12.9898 14.9329 7.22101 numMergedOcc 0
17 mol 227 unq 2 iso 0 dist 8.18597 7.03513 7.99145 8.7511 5.841 9.17826 12.7838 14.1659 13.2783 8.65997 numMergedOcc 0
18 mol 227 unq 3 iso 0 dist 8.18597 7.03513 7.99145 8.7511 5.841 9.17826 5.18659 9.8971 10.6504 7.56888 numMergedOcc 0
19 mol 227 unq 4 iso 0 dist 8.18597 7.03513 7.99145 8.7511 5.841 9.17826 5.92777 7.71761 11.4528 7.55216 numMergedOcc 0
20 mol 230 unq 0 iso 0 dist 8.95575 4.35944 5.00735 11.8177 6.33989 8.43766 8.898 5.62804 7.07028 6.7547 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 8.75001 9.0972 6.32593 10.6346 6.53984 9.75174 13.8985 12.6391 13.477 6.57393 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 6.75599 4.27675 6.32593 11.7348 6.53984 9.75174 16.437 12.6391 13.477 6.57393 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 9.87224 7.04644 4.21935 13.2218 4.77446 6.37342 9.86326 6.83046 5.29737 6.16342 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 6.41167 3.95075 6.59521 5.73834 5.13233 8.58088 6.48867 10.7821 10.221 6.60405 numMergedOcc 0
25 mol 258 unq 1 iso 0 dist 6.41167 3.95075 6.59521 5.73834 5.13233 8.58088 7.52881 8.21585 9.22664 6.42289 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 7.03782 10.88 8.17922 12.0329 10.374 7.80446 17.0737 13.261 6.57235 9.10818 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 7.91992 4.54209 9.42812 9.91594 16.2915 6.90434 13.6123 20.3589 13.2927 9.7748 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 4.26671 11.2544 9.9227 9.02427 5.80223 8.85762 10.0206 8.80588 4.95798 6.0664 numMergedOcc 0
