0 mol 44 unq 0 iso 0 dist 7.85573 9.64095 7.42925 7.78905 6.07691 9.6782 7.37043 8.6578 5.1728 7.52117 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 6.21423 4.83412 7.42925 9.44909 6.07691 9.6782 6.36853 8.6578 5.1728 7.52117 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 9.52763 3.63144 9.78973 7.20538 7.91078 7.16773 9.91757 13.9148 8.25666 6.77886 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.87177 4.53047 7.45801 8.06168 4.49951 6.02816 9.33688 9.48095 9.03289 5.16364 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.70925 7.05537 7.45801 8.67532 4.49951 6.02816 13.4716 9.48095 9.03289 5.16364 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.95756 11.9468 7.45801 11.9045 4.49951 6.02816 16.7954 9.48095 9.03289 5.16364 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 6.95914 10.9097 8.35864 10.6673 10.4653 9.97343 11.1294 11.4006 5.38571 7.86572 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 5.46716 6.3462 5.75595 13.375 11.2897 7.78652 19.7255 18.8481 15.0801 8.41611 numMergedOcc 0
8 mol 143 unq 1 iso 0 dist 5.46716 6.3462 5.75595 13.375 11.2897 7.78652 14.2311 13.4123 11.5146 7.63338 numMergedOcc 0
9 mol 143 unq 2 iso 0 dist 5.46716 6.3462 5.75595 13.375 11.2897 7.78652 13.0406 14.5171 8.97873 9.03707 numMergedOcc 0
10 mol 143 unq 3 iso 0 dist 5.46716 6.3462 5.75595 13.375 11.2897 7.78652 9.32969 10.3832 6.60479 7.25673 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 8.77869 4.13881 9.25835 8.25167 6.71523 6.45896 5.49559 7.34321 4.56165 8.00506 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 6.09754 8.35349 6.05667 9.90206 6.4623 5.44002 15.2221 11.0156 8.46033 5.60393 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 6.14732 4.21811 8.61546 11.3366 14.5234 7.43071 16.8257 18.501 12.8075 8.03442 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 6.11539 6.70882 6.23146 11.3046 13.6402 9.05071 13.6356 15.5643 13.8622 7.83711 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 9.71082 14.3107 6.23146 17.5091 13.6402 9.05071 15.1601 15.5643 13.8622 7.83711 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 8.88613 4.32578 6.86251 9.49136 11.9319 6.36341 8.61048 12.924 7.85398 6.39158 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 5.98006 5.61261 9.69025 11.1503 11.8501 7.08526 8.4973 11.5672 6.31909 8.55558 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 4.75866 4.34346 6.12347 9.34347 9.73122 9.09855 4.49604 7.92537 5.89415 6.43341 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 7.87072 6.68035 6.12347 13.7309 9.73122 9.09855 12.3159 7.92537 5.89415 6.43341 numMergedOcc 0
