0 mol 76 unq 0 iso 0 dist 8.18572 7.17313 8.8326 13.7055 8.13108 15.957 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 8.25047 14.7997 9.78762 6.4988 8.23026 10.2292 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 9.55954 10.4004 5.10735 6.529 6.53308 4.77072 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 7.63284 5.88769 4.79891 4.70157 7.02507 4.72129 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 8.65429 7.75437 6.74197 8.35877 9.64383 12.31 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 8.65429 7.75437 6.74197 9.9123 7.54889 11.0642 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 8.65429 7.75437 6.74197 8.49566 7.78931 7.71768 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 8.29463 5.85333 5.30117 5.06206 5.35782 5.92158 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 5.93561 6.60434 9.05604 5.15479 6.29161 5.25186 numMergedOcc 0
9 mol 109 unq 1 iso 0 dist 5.33967 6.60434 5.58623 5.15479 7.86666 5.25186 numMergedOcc 0
10 mol 109 unq 2 iso 0 dist 5.33967 6.60434 5.58623 14.949 9.77497 13.5568 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 5.20001 6.63536 8.54233 5.17524 6.10127 5.34484 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 8.62413 11.3239 8.46972 5.57978 5.51197 10.1294 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 5.4647 5.39133 9.03126 6.96904 7.06025 9.74132 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 9.42801 7.46421 6.50932 15.4299 8.19317 14.2513 numMergedOcc 0
15 mol 235 unq 1 iso 0 dist 9.42801 7.46421 6.50932 10.8094 5.1823 8.38435 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 6.66615 10.7376 7.05095 5.2836 5.90924 6.46871 numMergedOcc 0
17 mol 264 unq 1 iso 0 dist 6.66615 10.7376 7.05095 4.53426 5.90058 9.80039 numMergedOcc 0
18 mol 264 unq 2 iso 0 dist 6.66615 10.7376 7.05095 13.628 9.58916 6.62911 numMergedOcc 0
19 mol 276 unq 0 iso 0 dist 8.53037 5.21842 8.51449 6.23528 8.6759 6.33662 numMergedOcc 0
20 mol 276 unq 1 iso 0 dist 8.53037 7.57684 7.70127 6.23528 8.6759 9.58401 numMergedOcc 0
