0 mol 0 unq 0 iso 0 dist 7.96742 6.8892 9.53992 7.16694 14.4281 9.16606 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.19397 6.8892 11.5675 7.16694 10.9707 9.16606 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.14952 9.02869 8.4061 15.4291 8.77648 9.28571 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.14952 9.02869 8.4061 14.326 16.2804 8.05125 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 9.00925 8.68949 16.2669 6.04779 14.4873 7.74386 numMergedOcc 0
5 mol 29 unq 0 iso 0 dist 7.71924 5.36278 8.02814 6.69806 12.5461 8.53135 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.38928 5.35252 5.03338 10.6637 14.2843 9.79657 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 9.74556 9.2922 5.2172 6.45611 10.9344 7.88961 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 7.8986 8.52643 7.05519 7.59945 10.9115 5.45684 numMergedOcc 0
9 mol 64 unq 1 iso 0 dist 7.8986 8.52643 7.05519 13.3239 14.6782 7.76644 numMergedOcc 0
10 mol 64 unq 2 iso 0 dist 7.8986 9.75299 8.49962 7.59945 10.9115 7.66372 numMergedOcc 0
11 mol 64 unq 3 iso 0 dist 7.8986 9.75299 8.49962 13.3239 14.6782 9.99743 numMergedOcc 0
12 mol 64 unq 4 iso 0 dist 7.24183 5.41357 7.05519 5.65551 10.9115 5.45684 numMergedOcc 0
13 mol 64 unq 5 iso 0 dist 7.24183 5.41357 7.05519 9.81422 14.6782 7.76644 numMergedOcc 0
14 mol 64 unq 6 iso 0 dist 7.24183 9.30042 8.49962 5.65551 10.9115 7.66372 numMergedOcc 0
15 mol 64 unq 7 iso 0 dist 7.24183 9.30042 8.49962 9.81422 14.6782 9.99743 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 9.27331 7.45777 4.68175 10.345 10.4593 6.85356 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 9.27331 7.45777 4.68175 14.1204 7.21285 7.32265 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 5.92936 7.48556 4.97519 15.0455 12.6772 8.08507 numMergedOcc 0
19 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 10.2556 13.6767 9.26231 numMergedOcc 0
20 mol 90 unq 0 iso 0 dist 6.6146 9.06641 5.12529 6.3566 8.6308 7.94379 numMergedOcc 0
21 mol 99 unq 0 iso 0 dist 6.81741 8.68674 4.74328 8.61334 8.23566 4.82346 numMergedOcc 0
22 mol 99 unq 1 iso 0 dist 6.81741 8.68674 4.74328 12.2155 11.1962 8.07233 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 7.85526 9.88178 6.01484 15.6097 14.1149 8.15734 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 7.85526 9.88178 6.01484 5.57607 7.94564 6.00896 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 5.33543 9.88178 10.6104 15.6097 18.1155 8.15734 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 5.33543 9.88178 10.6104 5.57607 9.21999 6.00896 numMergedOcc 0
27 mol 140 unq 0 iso 0 dist 8.05043 7.60956 4.8476 5.00766 9.74209 6.55217 numMergedOcc 0
28 mol 140 unq 1 iso 0 dist 8.05043 9.9171 8.53976 5.00766 9.74209 7.21686 numMergedOcc 0
29 mol 158 unq 0 iso 0 dist 7.07348 9.96635 10.9312 17.5374 17.9783 8.95432 numMergedOcc 0
30 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 8.59214 14.4576 7.08934 numMergedOcc 0
31 mol 162 unq 1 iso 0 dist 8.954 6.59407 7.84996 7.46189 15.2359 9.43135 numMergedOcc 0
32 mol 165 unq 0 iso 0 dist 8.2197 7.21397 10.5947 6.27901 14.2061 7.8052 numMergedOcc 0
33 mol 183 unq 0 iso 0 dist 7.69421 8.97652 9.01399 4.92164 9.82833 9.84649 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 11.315 13.7617 9.60838 numMergedOcc 0
35 mol 192 unq 0 iso 0 dist 7.30965 6.2016 5.21255 6.16078 7.72242 5.83093 numMergedOcc 0
36 mol 203 unq 0 iso 0 dist 7.9591 6.84619 4.9404 4.51654 8.8589 5.46529 numMergedOcc 0
37 mol 204 unq 0 iso 0 dist 7.00683 9.52029 8.61406 13.8486 16.5867 9.23669 numMergedOcc 0
38 mol 210 unq 0 iso 0 dist 6.41444 8.05949 7.48216 11.5037 12.9027 8.50367 numMergedOcc 0
39 mol 210 unq 1 iso 0 dist 6.41444 8.05949 7.48216 15.7959 16.0853 8.94889 numMergedOcc 0
40 mol 220 unq 0 iso 0 dist 7.57712 5.25149 10.1832 8.17619 15.6379 9.57625 numMergedOcc 0
41 mol 220 unq 1 iso 0 dist 7.57712 8.6368 13.4455 7.36665 10.181 9.984 numMergedOcc 0
42 mol 220 unq 2 iso 0 dist 7.57712 8.6368 13.4455 8.17619 15.6379 8.08702 numMergedOcc 0
43 mol 220 unq 3 iso 0 dist 7.20255 5.25149 9.96224 8.17619 13.5453 9.57625 numMergedOcc 0
44 mol 220 unq 4 iso 0 dist 7.20255 8.6368 8.70221 7.36665 9.74776 9.984 numMergedOcc 0
45 mol 220 unq 5 iso 0 dist 7.20255 8.6368 8.70221 8.17619 13.5453 8.08702 numMergedOcc 0
46 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 4.68566 9.86372 7.96628 numMergedOcc 0
47 mol 223 unq 1 iso 0 dist 9.29204 8.87456 8.36102 4.68566 9.86372 7.76053 numMergedOcc 0
48 mol 223 unq 2 iso 0 dist 9.29204 8.87456 8.36102 11.1044 15.8519 9.65728 numMergedOcc 0
49 mol 223 unq 3 iso 0 dist 9.14789 6.97426 4.78255 4.68566 7.70946 7.96628 numMergedOcc 0
50 mol 223 unq 4 iso 0 dist 9.14789 8.87456 5.43913 4.68566 7.70946 7.76053 numMergedOcc 0
51 mol 223 unq 5 iso 0 dist 9.14789 8.87456 5.43913 11.1044 12.2562 9.65728 numMergedOcc 0
52 mol 223 unq 6 iso 0 dist 7.80764 6.97426 12.6805 4.68566 11.3699 7.96628 numMergedOcc 0
53 mol 223 unq 7 iso 0 dist 7.80764 8.87456 13.9763 4.68566 11.3699 7.76053 numMergedOcc 0
54 mol 223 unq 8 iso 0 dist 7.80764 8.87456 13.9763 11.1044 14.6013 9.65728 numMergedOcc 0
55 mol 223 unq 9 iso 0 dist 5.75896 6.97426 10.6184 4.68566 10.1945 7.96628 numMergedOcc 0
56 mol 223 unq 10 iso 0 dist 5.75896 8.87456 13.8469 4.68566 10.1945 7.76053 numMergedOcc 0
57 mol 223 unq 11 iso 0 dist 5.75896 8.87456 13.8469 11.1044 16.5446 9.65728 numMergedOcc 0
58 mol 224 unq 0 iso 0 dist 7.47122 7.03925 4.49347 6.1168 7.46044 5.07376 numMergedOcc 0
59 mol 224 unq 1 iso 0 dist 5.97988 8.81063 10.0093 5.07348 9.14793 7.53412 numMergedOcc 0
60 mol 224 unq 2 iso 0 dist 9.37276 8.81063 4.19878 5.07348 8.62228 7.53412 numMergedOcc 0
61 mol 224 unq 3 iso 0 dist 7.58998 6.23677 6.88745 8.8161 14.6984 8.96263 numMergedOcc 0
62 mol 224 unq 4 iso 0 dist 8.71944 8.82663 5.45067 11.6942 12.0757 7.35677 numMergedOcc 0
63 mol 239 unq 0 iso 0 dist 6.00654 9.01071 12.178 13.3781 18.3166 7.449 numMergedOcc 0
64 mol 239 unq 1 iso 0 dist 6.00654 9.01071 12.178 14.2324 18.9073 8.98789 numMergedOcc 0
65 mol 239 unq 2 iso 0 dist 6.00654 8.86185 8.20191 10.1043 8.78008 7.80073 numMergedOcc 0
66 mol 239 unq 3 iso 0 dist 9.59937 7.58554 5.94643 8.46058 8.01565 7.10828 numMergedOcc 0
67 mol 241 unq 0 iso 0 dist 9.174 7.26758 10.9643 4.77878 13.2681 6.54678 numMergedOcc 0
68 mol 244 unq 0 iso 0 dist 6.51428 7.79787 13.4155 8.64762 13.0526 6.2667 numMergedOcc 0
69 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 6.13333 6.04688 5.70674 numMergedOcc 0
70 mol 249 unq 1 iso 0 dist 9.04715 3.67935 5.75331 6.13333 9.50034 5.70674 numMergedOcc 0
71 mol 255 unq 0 iso 0 dist 9.72048 7.57779 9.92518 12.1115 16.7161 7.16286 numMergedOcc 0
72 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 5.79358 10.9114 8.73425 numMergedOcc 0
73 mol 258 unq 1 iso 0 dist 6.08181 7.25618 11.0025 5.79358 10.9114 9.65711 numMergedOcc 0
74 mol 258 unq 2 iso 0 dist 7.70189 8.10903 5.27718 5.79358 6.59521 8.73425 numMergedOcc 0
75 mol 258 unq 3 iso 0 dist 7.70189 7.25618 9.46467 5.79358 6.59521 9.65711 numMergedOcc 0
76 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 5.03102 11.7325 9.38192 numMergedOcc 0
77 mol 261 unq 1 iso 0 dist 9.70222 4.85199 10.6318 6.40309 13.5235 6.99444 numMergedOcc 0
78 mol 261 unq 2 iso 0 dist 9.71882 9.13604 10.6318 9.37836 11.7325 9.38192 numMergedOcc 0
79 mol 261 unq 3 iso 0 dist 9.71882 9.13604 10.6318 5.91745 13.5235 6.99444 numMergedOcc 0
80 mol 282 unq 0 iso 0 dist 8.61456 5.00258 9.80233 6.38947 12.7565 6.51248 numMergedOcc 0
81 mol 282 unq 1 iso 0 dist 8.41041 8.22117 9.80233 5.98603 12.7565 6.51248 numMergedOcc 0
82 mol 287 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.43524 13.2902 9.84741 numMergedOcc 0
83 mol 287 unq 1 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 numMergedOcc 0
84 mol 287 unq 2 iso 0 dist 8.0935 7.14859 8.13485 10.6005 15.8403 8.56533 numMergedOcc 0
85 mol 288 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.43524 13.2902 9.84741 numMergedOcc 0
86 mol 288 unq 1 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 numMergedOcc 0
87 mol 288 unq 2 iso 0 dist 8.0935 7.14859 8.13485 10.6005 15.8403 8.56533 numMergedOcc 0
88 mol 289 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.43524 13.2902 9.84741 numMergedOcc 0
89 mol 289 unq 1 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 numMergedOcc 0
90 mol 289 unq 2 iso 0 dist 8.0935 7.14859 8.13485 10.6005 15.8403 8.56533 numMergedOcc 0
91 mol 294 unq 0 iso 0 dist 5.76337 9.77023 7.87494 14.1763 15.144 8.46311 numMergedOcc 0
92 mol 294 unq 1 iso 0 dist 9.39625 9.77023 11.4878 14.1763 19.3391 8.46311 numMergedOcc 0
