0 mol 36 unq 0 iso 0 dist 4.10339 7.34019 9.45335 6.1084 9.13645 4.24251 5.19317 5.83354 12.4965 10.841 numMergedOcc 0
1 mol 36 unq 1 iso 0 dist 4.10339 8.43828 5.98566 6.1084 9.13645 9.98403 5.19317 5.83354 11.6737 10.841 numMergedOcc 0
2 mol 86 unq 0 iso 0 dist 8.4254 5.49793 5.19926 7.19148 7.36782 5.9022 8.47281 9.62655 11.2976 11.7643 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 8.70106 5.94478 10.2138 9.43076 10.6434 6.80028 11.4822 7.81042 15.1643 17.6268 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 7.11486 6.57177 6.16616 13.4277 8.34427 11.5151 14.7747 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 5.86949 8.62898 5.34721 9.23896 8.49619 4.94499 6.33907 9.71692 14.0476 14.4931 numMergedOcc 0
6 mol 148 unq 1 iso 0 dist 5.86949 8.62898 5.34721 6.02506 8.01366 9.29878 6.33907 9.71692 14.0476 8.3656 numMergedOcc 0
7 mol 148 unq 2 iso 0 dist 6.72591 9.7168 12.9245 9.8506 8.01366 15.239 7.50382 9.71692 16.4612 8.3656 numMergedOcc 0
8 mol 148 unq 3 iso 0 dist 6.72591 7.38138 10.5987 9.8506 8.01366 8.68046 7.50382 9.71692 10.69 8.3656 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 5.84971 8.6102 5.38822 9.46439 8.69407 4.99218 6.43607 9.73708 14.1199 14.8273 numMergedOcc 0
10 mol 150 unq 1 iso 0 dist 5.84971 8.6102 5.38822 6.07854 8.04136 9.35505 6.43607 9.73708 14.1199 8.44633 numMergedOcc 0
11 mol 150 unq 2 iso 0 dist 6.80192 9.61132 12.8684 9.91991 8.04136 15.2388 7.48524 9.73708 16.3796 8.44633 numMergedOcc 0
12 mol 150 unq 3 iso 0 dist 6.80192 7.34423 10.4881 9.91991 8.04136 8.55576 7.48524 9.73708 10.6513 8.44633 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 9.49732 6.49599 11.0067 7.8428 6.51653 9.99423 17.4311 8.91916 18.4456 15.2108 numMergedOcc 0
14 mol 259 unq 1 iso 0 dist 9.49732 6.49599 11.0067 7.8428 6.51653 9.99423 12.8835 4.55368 13.8509 11.0621 numMergedOcc 0
15 mol 259 unq 2 iso 0 dist 9.49732 9.34738 11.569 7.8428 6.51653 8.95813 17.4311 8.91916 19.4422 15.2108 numMergedOcc 0
16 mol 259 unq 3 iso 0 dist 9.49732 9.34738 11.569 7.8428 6.51653 8.95813 12.8835 4.55368 14.9816 11.0621 numMergedOcc 0
17 mol 259 unq 4 iso 0 dist 9.49732 9.47382 6.18571 7.8428 6.51653 8.81358 17.4311 8.91916 12.2198 15.2108 numMergedOcc 0
18 mol 259 unq 5 iso 0 dist 9.49732 9.47382 6.18571 7.8428 6.51653 8.81358 12.8835 4.55368 7.93997 11.0621 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 4.66252 9.22576 11.3048 7.74312 10.6613 4.13216 5.44878 4.49185 12.0651 9.94851 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 4.66252 9.22576 11.3048 7.74312 10.6613 4.13216 5.44878 4.49185 12.0651 9.94851 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 4.66252 9.22576 11.3048 7.74312 10.6613 4.13216 5.44878 4.49185 12.0651 9.94851 numMergedOcc 0
