0 mol 59 unq 0 iso 0 dist 5.81747 8.11934 6.8954 5.87788 7.69638 9.57333 numMergedOcc 0
1 mol 78 unq 0 iso 0 dist 9.84346 9.739 12.0321 18.5554 9.4486 16.5147 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 8.00003 9.13985 12.1306 5.99589 9.73165 14.1664 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 8.53731 6.8458 3.46142 5.21101 8.27794 5.32751 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 7.72434 9.41415 6.33908 13.0801 8.4733 14.2156 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.12336 6.31523 9.72036 10.2948 6.42904 15.1361 numMergedOcc 0
6 mol 163 unq 0 iso 0 dist 7.5447 6.54995 7.55428 14.0837 9.62943 15.0453 numMergedOcc 0
7 mol 169 unq 0 iso 0 dist 8.44483 7.43598 10.2769 10.711 8.17917 16.1151 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 8.59783 9.2747 14.1071 13.1204 6.80086 19.2681 numMergedOcc 0
9 mol 171 unq 1 iso 0 dist 8.59783 8.45343 12.3288 13.1204 6.80086 15.4256 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 7.4839 8.49845 6.08965 4.44432 9.30303 12.2347 numMergedOcc 0
11 mol 176 unq 1 iso 0 dist 9.70481 9.7804 8.79663 8.5937 9.30303 15.3787 numMergedOcc 0
12 mol 176 unq 2 iso 0 dist 6.59532 9.65262 11.9861 5.2357 9.30303 11.5372 numMergedOcc 0
13 mol 243 unq 0 iso 0 dist 5.86679 7.39089 9.59013 5.40441 8.55613 9.71349 numMergedOcc 0
14 mol 249 unq 0 iso 0 dist 6.40339 5.68936 6.61486 4.20164 6.58109 6.72501 numMergedOcc 0
15 mol 286 unq 0 iso 0 dist 5.03123 8.77242 8.14896 4.08297 8.23877 8.86121 numMergedOcc 0
16 mol 292 unq 0 iso 0 dist 8.35169 8.25719 11.6201 9.58852 6.68863 16.2784 numMergedOcc 0
