0 mol 0 unq 0 iso 0 dist 9.5614 9.40697 6.94181 5.25456 7.15528 5.47921 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.55156 7.16694 6.94181 7.1599 7.15528 5.47921 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 6.22805 5.85668 7.15434 6.96396 7.10621 11.2706 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 6.30573 5.91419 8.60571 4.81121 9.7022 7.12085 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 6.30573 5.91419 8.60571 7.95811 9.58196 10.9516 numMergedOcc 0
5 mol 14 unq 2 iso 0 dist 6.30573 5.91419 8.60571 6.24146 9.04767 11.3111 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 9.04834 9.19152 6.28033 6.05535 4.7319 5.40044 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 6.85305 5.84422 5.2422 4.70723 9.24927 5.74753 numMergedOcc 0
8 mol 41 unq 0 iso 0 dist 4.68793 11.44 8.52313 5.72331 6.19529 8.25852 numMergedOcc 0
9 mol 51 unq 0 iso 0 dist 9.06397 8.26107 9.23497 12.8917 9.0709 6.03084 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 4.24428 6.13631 6.10011 6.58444 5.93252 8.3449 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 6.30194 6.13631 8.124 10.5627 6.19304 13.4367 numMergedOcc 0
12 mol 75 unq 0 iso 0 dist 7.16583 9.00615 8.2147 6.77761 7.79912 13.5815 numMergedOcc 0
13 mol 75 unq 1 iso 0 dist 7.118 10.7293 8.2147 5.06305 7.79912 13.5815 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 9.22376 13.7516 6.56728 5.75796 7.47541 11.609 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 9.22376 13.7516 6.56728 3.85308 7.66905 13.5384 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 9.22376 13.7516 6.56728 9.77828 5.73196 5.29763 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 9.57498 9.16553 8.96916 6.89762 6.45675 5.92158 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 8.46734 9.59741 7.51061 6.43998 7.34473 5.29855 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 8.35604 9.50302 6.55511 5.3967 5.11551 5.47689 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 8.35604 9.50302 6.55511 11.9798 7.11972 6.00348 numMergedOcc 0
21 mol 115 unq 2 iso 0 dist 7.83568 6.0336 6.55511 7.10772 5.11551 5.47689 numMergedOcc 0
22 mol 115 unq 3 iso 0 dist 7.83568 6.0336 6.55511 11.3906 7.11972 6.00348 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 7.15203 8.86818 9.79004 5.38237 7.24514 10.0277 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 7.15203 8.86818 9.79004 9.71227 8.22656 7.33132 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 5.67862 6.50741 7.27598 9.52819 6.37586 6.50005 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 5.67862 6.50741 7.27598 12.4156 9.71307 12.0971 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 7.97208 6.50741 5.57904 12.5576 6.54501 7.41837 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 7.97208 6.50741 5.57904 9.52819 6.49416 6.50005 numMergedOcc 0
29 mol 210 unq 0 iso 0 dist 6.53736 7.79985 8.71409 11.5481 6.18308 12.9212 numMergedOcc 0
30 mol 210 unq 1 iso 0 dist 8.18851 9.95839 8.71409 8.72811 6.18308 12.9212 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 8.9077 11.9931 6.21273 10.6943 9.23153 5.1021 numMergedOcc 0
32 mol 220 unq 1 iso 0 dist 8.9077 11.9931 6.21273 15.396 8.24498 6.29601 numMergedOcc 0
33 mol 222 unq 0 iso 0 dist 8.69148 8.37449 5.47561 6.52189 8.01589 10.6375 numMergedOcc 0
34 mol 222 unq 1 iso 0 dist 8.69148 8.37449 5.47561 5.33282 7.7699 5.39098 numMergedOcc 0
35 mol 222 unq 2 iso 0 dist 8.69148 8.37449 5.47561 9.97859 7.21333 5.60111 numMergedOcc 0
36 mol 230 unq 0 iso 0 dist 8.33847 11.8106 5.62804 7.37154 6.7547 6.33989 numMergedOcc 0
37 mol 230 unq 1 iso 0 dist 9.12305 11.2815 5.62804 9.0274 6.7547 6.33989 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 7.47238 16.9546 9.95045 10.134 8.27212 12.5761 numMergedOcc 0
39 mol 239 unq 0 iso 0 dist 9.27989 9.44182 6.83046 12.1502 6.16342 4.77446 numMergedOcc 0
40 mol 256 unq 0 iso 0 dist 8.43264 7.68659 5.98967 6.19628 8.29103 6.64029 numMergedOcc 0
41 mol 258 unq 0 iso 0 dist 7.9357 7.88062 8.21585 8.73372 6.42289 5.13233 numMergedOcc 0
42 mol 258 unq 1 iso 0 dist 8.81059 5.79358 8.21585 9.78068 6.42289 5.13233 numMergedOcc 0
43 mol 261 unq 0 iso 0 dist 7.15785 5.72823 9.95681 6.5875 8.02547 5.79827 numMergedOcc 0
44 mol 261 unq 1 iso 0 dist 9.43169 5.72823 9.05762 6.5875 6.05727 5.79827 numMergedOcc 0
45 mol 265 unq 0 iso 0 dist 7.54805 5.46523 5.3051 12.5953 8.4218 11.4819 numMergedOcc 0
46 mol 272 unq 0 iso 0 dist 6.62923 11.1133 7.31993 11.9042 9.97651 7.33684 numMergedOcc 0
47 mol 272 unq 1 iso 0 dist 6.62923 11.1133 7.31993 5.27123 8.46116 10.4451 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 6.21831 6.33183 8.78883 6.11218 9.10818 7.48637 numMergedOcc 0
49 mol 274 unq 1 iso 0 dist 8.3291 9.34663 8.78883 6.98398 9.10818 7.48637 numMergedOcc 0
50 mol 280 unq 0 iso 0 dist 8.27417 10.5216 8.80588 12.0417 6.53701 8.30978 numMergedOcc 0
51 mol 280 unq 1 iso 0 dist 8.27417 10.5216 8.80588 7.26698 6.0664 5.80223 numMergedOcc 0
