0 mol 43 unq 0 iso 0 dist 6.38662 8.83248 6.95983 9.15042 5.16403 10.6711 10.3387 9.76585 8.84944 14.9221 numMergedOcc 0
1 mol 103 unq 0 iso 0 dist 8.60361 5.72494 11.1242 5.94478 5.47085 6.07628 5.40051 13.979 7.66418 10.9047 numMergedOcc 0
2 mol 103 unq 1 iso 0 dist 8.60361 8.70106 15.0192 5.94478 5.47085 10.2138 5.40051 13.979 8.078 10.9047 numMergedOcc 0
3 mol 103 unq 2 iso 0 dist 8.60361 8.70106 15.0192 5.94478 5.47085 10.2138 14.0531 20.6883 6.56481 16.4062 numMergedOcc 0
4 mol 122 unq 0 iso 0 dist 4.38961 6.78551 6.25432 5.09114 4.42285 6.28781 11.7558 13.8174 8.9864 11.3383 numMergedOcc 0
5 mol 136 unq 0 iso 0 dist 6.27434 9.67457 4.65485 6.53519 6.38418 10.4141 6.29723 7.65792 8.41727 11.8469 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 8.6499 8.60157 14.6035 9.7168 12.8573 5.77745 6.76353 13.508 8.6953 12.9544 numMergedOcc 0
7 mol 148 unq 1 iso 0 dist 8.6499 8.60157 14.6035 7.38138 8.61198 11.2162 6.76353 13.508 8.6953 13.8436 numMergedOcc 0
8 mol 148 unq 2 iso 0 dist 8.6499 6.72591 14.778 9.7168 12.8573 12.9245 6.76353 13.508 9.18753 12.9544 numMergedOcc 0
9 mol 148 unq 3 iso 0 dist 8.6499 6.72591 14.778 7.38138 8.61198 10.5987 6.76353 13.508 9.18753 13.8436 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 8.75339 8.59359 14.6751 9.61132 12.8265 5.71213 6.65519 13.5808 8.65967 12.8058 numMergedOcc 0
11 mol 150 unq 1 iso 0 dist 8.75339 8.59359 14.6751 7.34423 8.68422 11.2566 6.65519 13.5808 8.65967 13.7265 numMergedOcc 0
12 mol 150 unq 2 iso 0 dist 8.75339 6.80192 14.922 9.61132 12.8265 12.8684 6.65519 13.5808 9.15244 12.8058 numMergedOcc 0
13 mol 150 unq 3 iso 0 dist 8.75339 6.80192 14.922 7.34423 8.68422 10.4881 6.65519 13.5808 9.15244 13.7265 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 6.22499 9.66533 9.18058 9.01896 4.55245 11.3575 13.587 12.2006 4.36421 14.4648 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 6.37648 9.49732 10.1526 6.49599 7.49016 11.0067 14.4507 17.5626 8.54422 17.5095 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 6.37648 9.49732 10.1526 6.49599 7.49016 11.0067 10.4459 14.7663 7.67473 13.7569 numMergedOcc 0
17 mol 259 unq 2 iso 0 dist 6.37648 9.49732 10.1526 9.34738 6.30197 11.569 14.4507 17.5626 8.54422 19.5056 numMergedOcc 0
18 mol 259 unq 3 iso 0 dist 6.37648 9.49732 10.1526 9.34738 6.30197 11.569 10.4459 14.7663 7.67473 16.595 numMergedOcc 0
19 mol 259 unq 4 iso 0 dist 6.37648 9.49732 10.1526 9.47382 9.84081 6.18571 14.4507 17.5626 8.54422 13.119 numMergedOcc 0
20 mol 259 unq 5 iso 0 dist 6.37648 9.49732 10.1526 9.47382 9.84081 6.18571 10.4459 14.7663 7.67473 10.895 numMergedOcc 0
21 mol 276 unq 0 iso 0 dist 9.63988 8.0652 15.2084 7.11272 14.3233 11.0506 6.40983 14.403 7.60807 11.5159 numMergedOcc 0
22 mol 276 unq 1 iso 0 dist 9.63988 8.0652 15.2084 6.24808 10.8564 5.88008 6.40983 14.403 7.60807 10.1908 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 5.33054 6.89455 7.83784 7.92491 4.44211 6.41403 9.33643 13.8701 9.28067 14.8501 numMergedOcc 0
24 mol 283 unq 1 iso 0 dist 5.33054 8.821 5.37953 7.92491 4.44211 4.69801 12.3485 12.7983 9.243 12.4981 numMergedOcc 0
25 mol 283 unq 2 iso 0 dist 5.33054 9.82337 12.5084 7.92491 4.44211 13.1972 9.33643 13.8701 5.71075 14.8501 numMergedOcc 0
