0 mol 0 unq 0 iso 0 dist 9.23213 6.26831 4.04089 10.3034 6.3267 7.48645 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.81979 6.26831 7.56754 10.3034 14.4712 7.48645 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.33604 7.3915 11.705 12.8924 15.562 8.94096 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 8.33604 7.3915 11.705 4.85329 6.26865 9.07858 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 6.85412 9.78006 7.98363 5.60154 9.29529 8.04924 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 6.33889 9.78006 10.4204 5.60154 7.2199 8.04924 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 9.16962 5.69955 4.80984 9.87119 11.0822 7.61055 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 8.71128 6.34525 14.3491 5.31367 11.976 8.06525 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.66155 5.72642 5.87507 11.7126 9.9411 9.9928 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 8.6243 6.92648 6.01893 4.89973 11.3311 9.39683 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 6.91348 9.29384 6.01893 7.00551 11.3311 9.39683 numMergedOcc 0
11 mol 131 unq 2 iso 0 dist 9.51418 9.29384 15.1974 7.00551 15.5838 9.39683 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 7.36119 7.73169 14.0853 5.07967 12.2304 7.04913 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 9.52634 7.35824 6.05776 11.1651 10.1855 7.01126 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 9.52634 9.17364 5.85047 11.1651 10.1855 6.58434 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 8.96511 4.92088 7.07052 5.25267 12.6141 5.98771 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.94688 6.51749 10.4684 5.4601 10.5561 7.345 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 6.94688 6.51749 10.4684 10.0524 11.7007 9.52987 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 6.71012 6.51749 12.69 5.4601 9.94131 7.345 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 6.71012 6.51749 12.69 10.0524 12.8673 9.52987 numMergedOcc 0
20 mol 189 unq 0 iso 0 dist 6.50241 8.56355 4.34089 10.3197 11.4926 9.6013 numMergedOcc 0
21 mol 189 unq 1 iso 0 dist 6.50241 8.56355 4.34089 11.3081 11.5705 8.32712 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 15.9311 15.1721 9.77862 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 5.48258 8.83356 7.69247 5.38925 10.055 9.77862 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 6.15769 8.83356 13.9521 5.38925 10.8707 9.77862 numMergedOcc 0
25 mol 194 unq 3 iso 0 dist 8.38695 8.2654 6.8278 14.2415 15.1721 9.77862 numMergedOcc 0
26 mol 195 unq 0 iso 0 dist 8.36117 7.62942 9.08602 6.08211 14.218 9.79691 numMergedOcc 0
27 mol 195 unq 1 iso 0 dist 6.77578 7.62942 8.18628 6.08211 11.867 9.79691 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 9.59333 8.0144 10.3763 14.8202 18.4769 8.50907 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 6.97182 6.38157 9.26037 6.67959 11.7443 5.10114 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 6.1175 6.38157 11.353 6.67959 12.7646 5.10114 numMergedOcc 0
31 mol 218 unq 0 iso 0 dist 8.53199 8.06216 5.31559 7.47048 6.75035 9.67381 numMergedOcc 0
32 mol 218 unq 1 iso 0 dist 8.53199 5.76954 8.21424 9.68444 14.1171 6.86795 numMergedOcc 0
33 mol 218 unq 2 iso 0 dist 8.53199 5.76954 8.21424 7.47048 6.75035 6.61099 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 9.62609 5.4694 5.23507 5.34702 11.6647 9.20589 numMergedOcc 0
35 mol 227 unq 1 iso 0 dist 9.62609 5.4694 5.23507 8.8709 6.152 7.89801 numMergedOcc 0
36 mol 227 unq 2 iso 0 dist 8.17891 8.38865 5.92529 9.60993 11.6882 9.20589 numMergedOcc 0
37 mol 227 unq 3 iso 0 dist 8.17891 8.38865 5.92529 13.3557 7.95168 7.89801 numMergedOcc 0
38 mol 227 unq 4 iso 0 dist 6.95902 5.4694 5.92529 5.34702 11.6882 9.20589 numMergedOcc 0
39 mol 227 unq 5 iso 0 dist 6.95902 5.4694 5.92529 8.8709 7.95168 7.89801 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 9.68513 6.4398 6.48619 15.3074 12.4232 9.42618 numMergedOcc 0
41 mol 238 unq 1 iso 0 dist 9.29858 7.32982 6.48619 8.85181 12.4232 9.42618 numMergedOcc 0
42 mol 238 unq 2 iso 0 dist 9.90142 6.66971 5.8333 13.0842 14.6581 9.42618 numMergedOcc 0
43 mol 238 unq 3 iso 0 dist 5.9216 6.4398 5.8333 15.3074 14.6581 9.42618 numMergedOcc 0
44 mol 240 unq 0 iso 0 dist 6.15305 9.47583 9.75032 10.7371 13.8297 8.33853 numMergedOcc 0
45 mol 240 unq 1 iso 0 dist 6.15305 9.47583 9.75032 13.9225 15.1681 5.66537 numMergedOcc 0
46 mol 240 unq 2 iso 0 dist 7.03489 8.44909 9.75032 7.75407 13.8297 8.33853 numMergedOcc 0
47 mol 240 unq 3 iso 0 dist 7.03489 8.44909 9.75032 12.076 15.1681 5.66537 numMergedOcc 0
48 mol 240 unq 4 iso 0 dist 8.0951 9.47583 12.9871 10.7371 16.4631 8.33853 numMergedOcc 0
49 mol 240 unq 5 iso 0 dist 8.0951 9.47583 12.9871 13.9225 17.2761 5.66537 numMergedOcc 0
50 mol 248 unq 0 iso 0 dist 8.50864 6.17052 6.53154 6.48757 13.4404 8.53148 numMergedOcc 0
51 mol 259 unq 0 iso 0 dist 6.77938 8.59697 12.1218 5.31048 11.4462 6.39918 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 7.76676 8.59697 9.22203 5.31048 9.64797 6.39918 numMergedOcc 0
53 mol 272 unq 0 iso 0 dist 7.67853 9.05222 6.3139 5.7074 6.75716 7.35433 numMergedOcc 0
54 mol 282 unq 0 iso 0 dist 9.58517 8.0241 5.86276 5.9438 6.73692 6.353 numMergedOcc 0
