0 mol 37 unq 0 iso 0 dist 7.77333 9.48052 8.38803 11.7983 6.54418 7.17889 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 8.65313 11.062 8.6338 14.6585 8.61908 7.31677 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 9.00513 6.52096 7.31677 13.1609 8.61908 8.6338 numMergedOcc 0
3 mol 61 unq 2 iso 0 dist 8.64665 9.50418 7.31677 14.4297 8.61908 8.6338 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 7.17678 8.98413 7.30652 12.2918 7.55848 7.00234 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 9.86691 8.09812 6.9268 12.4912 7.57921 8.19166 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 5.59311 6.14253 9.56319 5.7232 10.5425 9.73038 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 5.59311 4.88407 6.65267 14.1379 15.4322 9.48694 numMergedOcc 0
8 mol 133 unq 3 iso 0 dist 5.7232 6.14253 9.73038 5.59311 10.5425 9.56319 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.0302 9.99567 8.52591 12.0113 9.03348 9.73865 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 6.65051 6.02176 8.52591 10.9046 9.03348 9.73865 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 9.41519 5.44444 8.52591 14.0653 9.03348 9.73865 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 9.38623 4.91302 6.28957 11.5246 3.81938 7.34285 numMergedOcc 0
13 mol 176 unq 0 iso 0 dist 9.02576 6.30137 7.80506 8.11904 3.69868 9.32606 numMergedOcc 0
14 mol 176 unq 1 iso 0 dist 8.11904 6.30137 9.32606 9.02576 3.69868 7.80506 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 8.94464 8.18671 6.60648 11.4115 10.1046 8.90161 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 8.94464 8.18671 6.60648 10.6505 4.53746 7.11262 numMergedOcc 0
17 mol 185 unq 0 iso 0 dist 7.5578 3.55732 8.83768 6.06763 5.81461 5.7065 numMergedOcc 0
18 mol 185 unq 1 iso 0 dist 6.06763 3.55732 5.7065 7.5578 5.81461 8.83768 numMergedOcc 0
19 mol 217 unq 0 iso 0 dist 9.51059 5.1774 7.80898 12.5729 4.03696 9.82478 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 7.9801 8.45224 5.71182 6.17825 4.07375 7.67573 numMergedOcc 0
21 mol 226 unq 1 iso 0 dist 6.17825 8.45224 7.67573 7.9801 4.07375 5.71182 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 8.09021 15.4423 9.94957 17.3543 10.4994 8.5774 numMergedOcc 0
23 mol 265 unq 1 iso 0 dist 8.09021 15.4423 9.94957 11.6717 5.97995 8.01664 numMergedOcc 0
24 mol 265 unq 2 iso 0 dist 6.98451 11.3503 9.94957 16.0115 10.4994 8.5774 numMergedOcc 0
25 mol 265 unq 3 iso 0 dist 6.98451 11.3503 9.94957 11.4573 5.97995 8.01664 numMergedOcc 0
