0 mol 54 unq 0 iso 0 dist 8.16246 9.48823 5.58256 10.4221 6.29755 7.4038 15.9025 12.1689 11.8364 6.10175 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 9.48823 8.16246 5.58256 10.4221 7.4038 6.29755 15.9025 11.8364 12.1689 6.10175 numMergedOcc 0
2 mol 104 unq 0 iso 0 dist 5.71279 6.18499 4.36714 5.78815 7.32917 10.2478 10.1383 12.6757 13.3456 8.53028 numMergedOcc 0
3 mol 140 unq 0 iso 0 dist 7.60956 9.9171 5.17212 5.00766 6.55217 7.21686 8.05043 4.8476 8.53976 9.74209 numMergedOcc 0
4 mol 140 unq 1 iso 0 dist 9.9171 7.60956 5.17212 5.00766 7.21686 6.55217 8.05043 8.53976 4.8476 9.74209 numMergedOcc 0
5 mol 183 unq 0 iso 0 dist 8.97652 8.29364 5.77399 4.92164 9.84649 11.5589 7.69421 9.01399 6.39127 9.82833 numMergedOcc 0
6 mol 192 unq 0 iso 0 dist 6.2016 8.3453 6.63296 6.16078 5.83093 11.2722 7.30965 5.21255 5.1366 7.72242 numMergedOcc 0
7 mol 205 unq 0 iso 0 dist 4.81837 6.43519 9.98031 6.25023 7.25362 12.381 11.4441 8.94296 16.5656 9.90674 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 5.25149 8.6368 11.0459 8.17619 9.57625 8.08702 12.22 13.0906 4.56028 9.56271 numMergedOcc 0
9 mol 220 unq 1 iso 0 dist 8.6368 5.25149 11.0459 7.36665 9.984 12.5698 7.20255 8.70221 9.96224 9.74776 numMergedOcc 0
10 mol 220 unq 2 iso 0 dist 8.6368 5.25149 11.0459 8.17619 8.08702 9.57625 12.22 4.56028 13.0906 9.56271 numMergedOcc 0
11 mol 223 unq 0 iso 0 dist 6.97426 8.87456 4.71901 4.68566 7.96628 7.76053 9.29204 4.73988 8.36102 9.86372 numMergedOcc 0
12 mol 223 unq 1 iso 0 dist 6.97426 8.87456 4.71901 4.68566 7.96628 7.76053 9.14789 4.78255 5.43913 7.70946 numMergedOcc 0
13 mol 223 unq 2 iso 0 dist 8.87456 6.97426 4.71901 4.68566 7.76053 7.96628 9.29204 8.36102 4.73988 9.86372 numMergedOcc 0
14 mol 223 unq 3 iso 0 dist 8.87456 6.97426 4.71901 4.68566 7.76053 7.96628 9.14789 5.43913 4.78255 7.70946 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 7.31608 7.96226 5.19836 3.92881 8.96263 7.35677 11.2964 9.9943 7.83342 9.06201 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 7.96226 7.31608 5.19836 3.92881 7.35677 8.96263 11.2964 7.83342 9.9943 9.06201 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 6.28935 8.4208 5.50813 6.40216 9.42877 12.8298 10.0705 6.1732 10.2614 8.86628 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.86185 9.01071 15.9311 10.1043 7.80073 18.9779 6.00654 8.20191 12.178 8.78008 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 3.67935 8.00386 6.79958 6.13333 5.70674 10.464 7.58833 4.88298 10.9665 6.04688 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 8.10903 7.25618 5.31174 5.79358 8.73425 9.65711 7.70189 5.27718 9.46467 6.59521 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 7.25618 8.10903 5.31174 5.79358 9.65711 8.73425 7.70189 9.46467 5.27718 6.59521 numMergedOcc 0
22 mol 261 unq 0 iso 0 dist 7.58385 6.0437 5.29945 6.29331 8.25759 6.99444 12.1419 7.45398 7.70154 8.64393 numMergedOcc 0
23 mol 261 unq 1 iso 0 dist 6.0437 7.58385 5.29945 6.29331 6.99444 8.25759 12.1419 7.70154 7.45398 8.64393 numMergedOcc 0
24 mol 261 unq 2 iso 0 dist 4.85199 9.72159 10.4196 6.40309 6.99444 11.0021 11.1793 7.70154 10.7738 8.64393 numMergedOcc 0
25 mol 261 unq 3 iso 0 dist 9.13604 6.89731 10.4196 5.91745 6.99444 11.0021 11.1281 7.70154 10.7738 8.64393 numMergedOcc 0
26 mol 261 unq 4 iso 0 dist 9.13604 9.85607 10.8346 5.91745 6.99444 11.436 11.1281 7.70154 7.17352 8.64393 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 5.78262 7.6489 8.60201 7.01631 7.84151 13.8768 13.861 10.402 18.9848 9.36052 numMergedOcc 0
28 mol 281 unq 0 iso 0 dist 4.75349 8.94206 8.81755 5.50235 6.47753 12.0983 11.697 10.2905 10.156 9.61122 numMergedOcc 0
29 mol 281 unq 1 iso 0 dist 4.75349 8.94206 8.81755 9.84433 9.69744 15.5202 11.697 10.2905 10.156 9.95684 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 14.1883 13.9343 19.2601 8.75275 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 14.1883 13.9343 19.2601 8.75275 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 14.1883 13.9343 19.2601 8.75275 numMergedOcc 0
