0 mol 16 unq 0 iso 0 dist 8.46837 9.36191 8.63347 11.8413 5.38671 6.57331 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.46837 9.36191 8.63347 9.59856 5.45161 8.43054 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 6.72533 4.95319 8.43157 6.39243 4.96555 5.65084 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 8.29216 6.19959 8.43157 9.1715 4.96555 5.65084 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 9.88453 5.37485 9.10473 12.4066 13.7275 7.52933 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 9.88453 9.11808 9.20827 12.4066 13.7275 8.23761 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 6.61704 4.64617 8.03914 10.6262 12.1132 6.66407 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 5.90391 5.52643 8.81519 6.32012 5.2876 5.94756 numMergedOcc 0
8 mol 45 unq 1 iso 0 dist 8.82771 9.18139 8.81519 11.3157 5.2876 5.94756 numMergedOcc 0
9 mol 89 unq 0 iso 0 dist 9.14778 14.2364 8.68698 18.6542 10.5385 6.53308 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.29439 5.02595 6.39945 10.5947 5.90895 9.77575 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 9.74763 10.4659 6.98077 14.4041 5.50335 6.93139 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.84852 8.21842 8.78112 15.3848 9.66339 8.9192 numMergedOcc 0
13 mol 170 unq 0 iso 0 dist 5.94075 5.37396 8.95292 10.867 8.83341 9.08274 numMergedOcc 0
14 mol 170 unq 1 iso 0 dist 5.94075 5.37396 8.95292 12.4653 11.2005 9.51256 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 5.13722 7.10924 9.16535 10.8463 12.5217 9.90822 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.09373 12.1879 9.82338 16.2066 9.653 8.90571 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 8.09373 12.1879 9.82338 13.4599 10.568 6.61112 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 5.98076 6.13691 8.38813 9.89546 9.92743 8.75536 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 5.98076 6.13691 8.38813 9.66527 12.0573 7.33709 numMergedOcc 0
20 mol 218 unq 2 iso 0 dist 5.98076 6.13691 8.38813 4.851 8.31343 6.67404 numMergedOcc 0
21 mol 219 unq 0 iso 0 dist 7.98941 11.321 8.38773 14.4403 10.0509 4.33238 numMergedOcc 0
22 mol 219 unq 1 iso 0 dist 7.98941 11.321 8.38773 11.254 5.48556 7.83604 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 4.21935 8.15025 7.69491 6.83046 5.29737 6.73665 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 4.21935 8.15025 7.69491 14.2656 10.9704 9.34438 numMergedOcc 0
25 mol 239 unq 2 iso 0 dist 4.21935 8.15025 7.69491 14.3531 12.551 9.35949 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 9.60437 9.84746 7.89993 18.3559 12.7467 8.67156 numMergedOcc 0
27 mol 252 unq 0 iso 0 dist 8.04265 7.44658 4.54745 13.0796 5.26867 7.15764 numMergedOcc 0
28 mol 252 unq 1 iso 0 dist 9.42193 8.846 4.54745 13.4304 5.26867 7.15764 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 8.36655 5.03816 8.9352 8.68797 5.34376 6.35028 numMergedOcc 0
30 mol 279 unq 1 iso 0 dist 8.76889 7.51644 5.8845 12.0882 5.86731 6.35028 numMergedOcc 0
31 mol 279 unq 2 iso 0 dist 7.04397 3.75346 5.8845 9.65846 5.86731 6.35028 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 8.83885 8.58414 9.94851 13.1539 8.96892 7.45616 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 8.83885 8.58414 9.94851 13.1539 8.96892 7.45616 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 8.83885 8.58414 9.94851 13.1539 8.96892 7.45616 numMergedOcc 0
