0 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 9.5538 7.12903 5.90976 17.6319 11.6322 14.5813 9.20338 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 9.70735 4.90888 6.82505 9.5538 7.12903 5.51916 17.6319 11.6322 14.2985 9.20338 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 5.66529 6.58035 5.94084 8.46837 6.43294 9.79958 5.77753 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.10011 8.3449 5.93252 10.0721 5.64598 9.77992 7.84699 8.04817 11.905 6.4154 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 10.0721 4.65521 7.41074 7.84699 5.2774 6.89722 6.4154 numMergedOcc 0
5 mol 86 unq 0 iso 0 dist 8.40609 9.54732 9.5497 6.82648 7.79359 9.68893 10.2928 4.98527 14.315 9.54683 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 5.70279 5.92158 7.47343 11.8754 7.75343 15.209 12.9812 7.58985 12.0248 9.82043 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 5.70279 5.85449 6.65086 11.8754 7.75343 10.9608 12.9812 7.58985 13.2687 9.82043 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 5.70279 7.68675 6.56369 11.8754 7.75343 5.69137 12.9812 7.58985 12.5343 9.82043 numMergedOcc 0
9 mol 100 unq 3 iso 0 dist 5.70279 9.53223 9.30209 11.8754 7.75343 9.21622 12.9812 7.58985 15.2752 9.82043 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 9.84673 5.09542 7.36792 7.6114 9.94856 5.498 10.8539 5.54551 9.80678 9.50209 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 6.04412 5.24229 4.99221 5.97684 6.50039 5.60178 8.16113 5.71451 8.81562 5.60716 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 6.04412 5.24229 4.99221 5.97684 6.50039 5.60178 9.69719 5.889 6.86946 5.52706 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 8.5834 5.01062 7.54212 4.78647 7.18956 7.61682 7.10689 4.28891 8.7347 5.04916 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 9.73411 14.1073 8.95269 9.9234 6.87664 7.98696 15.0577 5.63485 9.34636 8.60781 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 9.73411 9.81806 6.57273 9.9234 6.87664 7.12232 15.0577 5.63485 9.79616 8.60781 numMergedOcc 0
16 mol 224 unq 2 iso 0 dist 9.73411 5.99647 5.78342 9.9234 6.87664 5.3621 15.0577 5.63485 10.0081 8.60781 numMergedOcc 0
17 mol 224 unq 3 iso 0 dist 7.07564 11.8217 8.95269 4.92261 6.87664 7.98696 7.7163 5.63485 9.34636 8.60781 numMergedOcc 0
18 mol 224 unq 4 iso 0 dist 7.07564 10.8463 6.57273 4.92261 6.87664 7.12232 7.7163 5.63485 9.79616 8.60781 numMergedOcc 0
19 mol 224 unq 5 iso 0 dist 7.07564 5.44863 5.78342 4.92261 6.87664 5.3621 7.7163 5.63485 10.0081 8.60781 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 12.3036 14.9329 9.17826 8.34104 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 9.60159 6.38287 7.09863 7.35206 8.17891 9.13836 12.3036 14.9329 13.0242 8.34104 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 5.3051 11.4819 8.4218 6.10503 6.34034 6.43013 5.10595 5.11366 12.3211 9.01586 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 8.83775 4.66992 8.44326 9.59763 6.35287 6.07447 16.6033 9.40662 13.774 7.76881 numMergedOcc 0
