0 mol 0 unq 0 iso 0 dist 6.8892 7.16694 9.16606 13.7584 11.4815 9.94618 numMergedOcc 0
1 mol 4 unq 0 iso 0 dist 9.63758 10.7798 5.39008 13.9132 4.46089 8.23852 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.02869 15.4291 9.28571 8.14952 8.4061 8.77648 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 9.02869 14.326 8.05125 13.7851 5.96526 6.0323 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.84944 11.3412 7.67459 16.6791 8.75469 8.58709 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 7.21995 5.88097 7.67459 10.0917 8.75469 8.58709 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 8.16246 10.4221 6.29755 15.9025 12.1689 6.10175 numMergedOcc 0
7 mol 54 unq 1 iso 0 dist 9.48823 10.4221 7.4038 15.9025 11.8364 6.10175 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 7.43409 5.81148 8.0757 11.2096 4.98324 9.49909 numMergedOcc 0
9 mol 56 unq 1 iso 0 dist 7.43409 10.7288 9.8958 11.2096 4.98324 8.37022 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.45777 10.345 6.85356 10.0291 4.63063 7.02351 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 7.45777 14.1204 7.32265 14.0106 8.30433 7.53504 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 7.45777 14.1204 7.32265 10.0291 4.63063 8.66342 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 7.45777 14.1204 7.32265 9.27331 4.68175 7.21285 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 7.45777 14.1204 7.32265 13.8777 10.0459 6.95094 numMergedOcc 0
15 mol 90 unq 0 iso 0 dist 9.06641 6.3566 7.94379 6.6146 5.12529 8.6308 numMergedOcc 0
16 mol 99 unq 0 iso 0 dist 8.68674 8.61334 4.82346 6.81741 4.74328 8.23566 numMergedOcc 0
17 mol 103 unq 0 iso 0 dist 6.79959 10.503 8.88401 11.1265 5.07523 8.28948 numMergedOcc 0
18 mol 104 unq 0 iso 0 dist 5.71279 5.78815 7.32917 10.1383 12.6757 8.53028 numMergedOcc 0
19 mol 124 unq 0 iso 0 dist 7.18976 9.2094 8.03603 10.619 5.26643 5.61764 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 6.08846 9.13134 6.45169 15.3607 10.1774 7.8034 numMergedOcc 0
21 mol 131 unq 1 iso 0 dist 9.19171 9.57821 6.45169 16.1827 10.1774 7.8034 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 9.88178 15.6097 8.15734 16.4276 6.69705 6.4922 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 9.88178 5.57607 6.00896 7.85526 6.01484 7.94564 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 9.88178 5.57607 6.00896 5.33543 10.6104 9.21999 numMergedOcc 0
25 mol 140 unq 0 iso 0 dist 9.13339 5.90456 6.55217 12.7279 4.8476 9.74209 numMergedOcc 0
26 mol 140 unq 1 iso 0 dist 7.60956 5.00766 6.55217 8.05043 4.8476 9.74209 numMergedOcc 0
27 mol 140 unq 2 iso 0 dist 9.9171 5.00766 7.21686 8.05043 8.53976 9.74209 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 9.65031 12.1354 9.27341 16.2429 7.53439 8.84852 numMergedOcc 0
29 mol 152 unq 1 iso 0 dist 8.51844 6.67687 9.27341 10.4601 7.53439 8.84852 numMergedOcc 0
30 mol 170 unq 0 iso 0 dist 4.44987 11.8056 9.15159 12.1211 7.9212 5.94075 numMergedOcc 0
31 mol 183 unq 0 iso 0 dist 8.97652 4.92164 9.84649 7.69421 9.01399 9.82833 numMergedOcc 0
32 mol 192 unq 0 iso 0 dist 6.2016 6.16078 5.83093 7.30965 5.21255 7.72242 numMergedOcc 0
33 mol 203 unq 0 iso 0 dist 6.84619 4.51654 5.46529 7.9591 4.9404 8.8589 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 5.86839 6.38518 6.02053 12.9088 8.82544 8.21112 numMergedOcc 0
35 mol 205 unq 1 iso 0 dist 5.86839 7.86936 7.41663 12.9088 8.82544 7.06533 numMergedOcc 0
36 mol 205 unq 2 iso 0 dist 4.81837 6.25023 7.25362 11.4441 8.94296 9.90674 numMergedOcc 0
37 mol 210 unq 0 iso 0 dist 8.05949 15.7959 8.94889 18.427 12.3142 7.68078 numMergedOcc 0
38 mol 210 unq 1 iso 0 dist 8.05949 15.7959 8.94889 21.3893 13.7365 9.26518 numMergedOcc 0
39 mol 220 unq 0 iso 0 dist 5.25149 8.17619 9.57625 12.22 13.0906 9.56271 numMergedOcc 0
40 mol 220 unq 1 iso 0 dist 8.6368 7.36665 9.984 7.20255 8.70221 9.74776 numMergedOcc 0
41 mol 220 unq 2 iso 0 dist 8.6368 8.17619 8.08702 12.22 4.56028 9.56271 numMergedOcc 0
42 mol 223 unq 0 iso 0 dist 6.97426 4.68566 7.96628 9.29204 4.73988 9.86372 numMergedOcc 0
43 mol 223 unq 1 iso 0 dist 6.97426 4.68566 7.96628 9.14789 4.78255 7.70946 numMergedOcc 0
44 mol 223 unq 2 iso 0 dist 8.87456 4.68566 7.76053 9.29204 8.36102 9.86372 numMergedOcc 0
45 mol 223 unq 3 iso 0 dist 8.87456 4.68566 7.76053 9.14789 5.43913 7.70946 numMergedOcc 0
46 mol 224 unq 0 iso 0 dist 7.03925 6.1168 5.07376 12.14 12.9085 9.92947 numMergedOcc 0
47 mol 224 unq 1 iso 0 dist 7.03925 6.1168 5.07376 7.47122 4.49347 7.46044 numMergedOcc 0
48 mol 224 unq 2 iso 0 dist 8.81063 5.07348 7.53412 9.37276 4.19878 8.62228 numMergedOcc 0
49 mol 224 unq 3 iso 0 dist 6.23677 8.8161 8.96263 12.0605 9.9943 9.06201 numMergedOcc 0
50 mol 224 unq 4 iso 0 dist 9.04741 9.46987 8.96263 15.9323 9.9943 9.06201 numMergedOcc 0
51 mol 224 unq 5 iso 0 dist 7.31608 3.92881 8.96263 11.2964 9.9943 9.06201 numMergedOcc 0
52 mol 224 unq 6 iso 0 dist 7.96226 3.92881 7.35677 11.2964 7.83342 9.06201 numMergedOcc 0
53 mol 224 unq 7 iso 0 dist 8.82663 11.6942 7.35677 16.4025 7.83342 9.06201 numMergedOcc 0
54 mol 229 unq 0 iso 0 dist 6.28935 6.40216 9.42877 10.0705 6.1732 8.86628 numMergedOcc 0
55 mol 239 unq 0 iso 0 dist 8.86185 10.1043 7.80073 6.00654 8.20191 8.78008 numMergedOcc 0
56 mol 239 unq 1 iso 0 dist 8.26312 13.8702 7.10828 10.2589 5.94643 8.01565 numMergedOcc 0
57 mol 239 unq 2 iso 0 dist 7.58554 8.46058 7.10828 9.59937 5.94643 8.01565 numMergedOcc 0
58 mol 249 unq 0 iso 0 dist 3.67935 6.13333 5.70674 7.58833 4.88298 6.04688 numMergedOcc 0
59 mol 255 unq 0 iso 0 dist 7.57779 12.1115 7.16286 10.6136 6.41518 6.61193 numMergedOcc 0
60 mol 258 unq 0 iso 0 dist 8.10903 5.79358 8.73425 7.70189 5.27718 6.59521 numMergedOcc 0
61 mol 258 unq 1 iso 0 dist 8.70193 7.88062 9.65711 12.9422 9.46467 6.59521 numMergedOcc 0
62 mol 258 unq 2 iso 0 dist 7.25618 5.79358 9.65711 7.70189 9.46467 6.59521 numMergedOcc 0
63 mol 259 unq 0 iso 0 dist 9.86267 8.46595 9.78704 12.1069 7.53628 5.96276 numMergedOcc 0
64 mol 261 unq 0 iso 0 dist 7.58385 6.29331 8.25759 12.1419 7.45398 8.64393 numMergedOcc 0
65 mol 261 unq 1 iso 0 dist 6.0437 6.29331 6.99444 12.1419 7.70154 8.64393 numMergedOcc 0
66 mol 261 unq 2 iso 0 dist 4.85199 6.40309 6.99444 11.1793 7.70154 8.64393 numMergedOcc 0
67 mol 261 unq 3 iso 0 dist 9.13604 5.91745 6.99444 11.1281 7.70154 8.64393 numMergedOcc 0
68 mol 273 unq 0 iso 0 dist 5.78262 7.01631 7.84151 13.861 10.402 9.36052 numMergedOcc 0
69 mol 280 unq 0 iso 0 dist 4.45141 5.846 6.38295 14.6209 14.0927 9.047 numMergedOcc 0
70 mol 280 unq 1 iso 0 dist 4.45141 5.846 6.38295 13.7994 11.4101 9.9227 numMergedOcc 0
71 mol 281 unq 0 iso 0 dist 4.75349 5.50235 6.47753 11.697 10.2905 9.61122 numMergedOcc 0
72 mol 281 unq 1 iso 0 dist 4.75349 9.84433 9.69744 11.697 10.2905 9.95684 numMergedOcc 0
73 mol 287 unq 0 iso 0 dist 6.96774 7.43524 9.84741 14.1883 13.9343 8.75275 numMergedOcc 0
74 mol 288 unq 0 iso 0 dist 6.96774 7.43524 9.84741 14.1883 13.9343 8.75275 numMergedOcc 0
75 mol 289 unq 0 iso 0 dist 6.96774 7.43524 9.84741 14.1883 13.9343 8.75275 numMergedOcc 0
