0 mol 46 unq 0 iso 0 dist 7.57749 7.35107 6.03151 14.3993 9.9787 7.18614 8.18251 6.28248 8.32948 13.02 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 7.57749 7.35107 6.03151 14.3993 9.9787 7.18614 5.02642 3.66253 7.43338 13.0737 numMergedOcc 0
2 mol 46 unq 2 iso 0 dist 8.55202 8.85515 6.03151 4.53545 9.9787 7.18614 12.488 6.28248 8.32948 13.02 numMergedOcc 0
3 mol 46 unq 3 iso 0 dist 8.55202 8.85515 6.03151 4.53545 9.9787 7.18614 12.1688 3.66253 7.43338 13.0737 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 7.93171 5.16581 5.62688 7.82856 9.2898 5.02731 11.2938 8.68463 9.94735 14.9027 numMergedOcc 0
5 mol 56 unq 1 iso 0 dist 7.93171 5.16581 5.62688 7.82856 9.2898 5.02731 13.9783 10.5328 9.44388 12.1419 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 5.73799 6.32585 7.81965 5.65355 7.07095 4.8513 11.343 9.94655 9.24998 13.0662 numMergedOcc 0
7 mol 89 unq 0 iso 0 dist 7.55644 4.78712 5.10735 6.46605 6.53308 4.77072 11.5446 8.04878 6.86861 9.6629 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 7.34638 11.1108 4.79891 10.4417 7.02507 4.72129 13.7168 6.40382 5.26536 9.4286 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 6.0995 9.17639 4.79891 9.63267 7.02507 4.72129 12.1364 6.40382 5.26536 9.4286 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 6.53559 8.56696 8.46972 6.43966 5.51197 10.1294 11.3549 9.14454 7.26325 13.7657 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 8.09774 9.22336 8.46972 5.56946 5.51197 10.1294 14.0951 9.14454 7.26325 13.7657 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 5.82945 5.76927 9.58844 3.96103 6.93139 7.21973 5.74058 6.5713 6.21554 9.0918 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 7.25009 11.1511 8.14405 10.4606 8.97626 7.92939 16.39 10.5172 8.3622 14.5301 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 8.27396 11.2463 9.07247 4.41193 5.96423 7.25468 15.5561 13.4486 8.49577 13.1625 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 6.32334 4.61429 5.31916 6.31508 6.99769 8.98459 11.4177 5.81697 8.18749 12.1716 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 6.32334 4.61429 5.31916 5.72088 8.79428 9.81806 11.4177 5.81697 8.18749 14.526 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 6.32334 4.61429 5.31916 6.51315 6.8692 5.99647 11.4177 5.81697 8.18749 10.0508 numMergedOcc 0
