0 mol 53 unq 0 iso 0 dist 8.79235 12.2389 5.63499 10.7201 7.28228 5.55291 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 6.44825 4.94708 9.83555 11 8.3733 10.3756 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.12959 6.6711 6.55112 13.0619 8.13108 8.73236 numMergedOcc 0
3 mol 132 unq 0 iso 0 dist 8.62632 8.91031 8.40461 11.6877 6.89918 5.28089 numMergedOcc 0
4 mol 132 unq 1 iso 0 dist 8.62632 8.91031 8.40461 11.8999 7.89457 4.50065 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 9.7105 5.20083 8.89346 9.71227 7.22643 9.42084 numMergedOcc 0
6 mol 155 unq 0 iso 0 dist 5.55218 5.55092 8.99128 13.8829 8.97626 14.7612 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 8.39573 8.66115 5.97971 12.5935 9.01624 10.8374 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 8.39573 8.66115 5.97971 4.681 5.05973 4.62576 numMergedOcc 0
9 mol 181 unq 2 iso 0 dist 8.39573 6.02642 8.72747 12.5935 9.01624 11.9541 numMergedOcc 0
10 mol 181 unq 3 iso 0 dist 8.39573 6.02642 8.72747 4.681 5.05973 4.80932 numMergedOcc 0
11 mol 181 unq 4 iso 0 dist 8.39573 7.62243 8.23845 12.5935 9.01624 8.672 numMergedOcc 0
12 mol 181 unq 5 iso 0 dist 8.39573 7.62243 8.23845 4.681 5.05973 6.42223 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 5.27578 3.82682 8.09915 7.82249 9.3498 5.25279 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 5.27578 3.82682 8.09915 9.09826 7.05695 9.29114 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 8.25953 4.84679 8.09915 5.47219 9.3498 5.25279 numMergedOcc 0
16 mol 186 unq 3 iso 0 dist 8.25953 4.84679 8.09915 6.51869 7.05695 9.29114 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 9.867 5.11732 8.92597 6.45734 7.21137 7.22201 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 9.867 5.11732 8.92597 15.4114 8.4844 12.3312 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 9.867 17.3532 7.53734 6.45734 7.21137 13.6728 numMergedOcc 0
20 mol 205 unq 3 iso 0 dist 9.867 17.3532 7.53734 15.4114 8.4844 7.78052 numMergedOcc 0
21 mol 205 unq 4 iso 0 dist 9.867 18.2651 9.79826 6.45734 7.21137 14.1866 numMergedOcc 0
22 mol 205 unq 5 iso 0 dist 9.867 18.2651 9.79826 15.4114 8.4844 13.0749 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 8.25288 12.1997 7.80421 8.99603 8.63693 5.92474 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 8.57781 12.0975 8.565 15.4433 8.08349 6.57808 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 8.57781 12.0975 8.565 10.8616 9.78218 6.64754 numMergedOcc 0
26 mol 224 unq 2 iso 0 dist 5.36326 3.74681 8.565 4.55824 8.08349 6.57808 numMergedOcc 0
27 mol 224 unq 3 iso 0 dist 5.36326 3.74681 8.565 6.91193 9.78218 6.64754 numMergedOcc 0
28 mol 225 unq 0 iso 0 dist 7.50697 4.37243 8.69052 6.89798 8.14831 10.3976 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.67281 7.18715 5.52788 7.01206 9.12776 10.313 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 9.67281 7.18715 5.52788 11.2453 9.72188 7.04671 numMergedOcc 0
31 mol 251 unq 0 iso 0 dist 8.07576 4.72905 9.65275 9.52592 9.82601 10.1306 numMergedOcc 0
32 mol 251 unq 1 iso 0 dist 8.07576 4.72905 9.65275 7.54315 6.50357 10.2078 numMergedOcc 0
33 mol 251 unq 2 iso 0 dist 6.17824 10.4064 9.65275 5.99541 9.82601 10.1306 numMergedOcc 0
34 mol 251 unq 3 iso 0 dist 6.17824 10.4064 9.65275 6.33949 6.50357 10.2078 numMergedOcc 0
35 mol 255 unq 0 iso 0 dist 7.58813 4.03201 5.88708 9.02294 6.87333 6.36792 numMergedOcc 0
36 mol 255 unq 1 iso 0 dist 7.58813 4.03201 5.88708 4.15604 9.86207 4.95139 numMergedOcc 0
37 mol 257 unq 0 iso 0 dist 8.27649 6.78634 8.00193 5.54149 6.34915 4.91688 numMergedOcc 0
38 mol 257 unq 1 iso 0 dist 8.27649 6.78634 8.00193 10.8918 7.81897 6.25954 numMergedOcc 0
