0 mol 56 unq 0 iso 0 dist 8.54845 12.3451 6.80741 14.6671 8.63486 4.7418 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.46655 6.55138 6.48625 9.70283 8.64015 13.5596 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.14865 7.24375 9.93344 7.12794 7.9814 7.61116 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.89021 14.4661 9.02288 16.3451 8.03303 6.28525 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.89021 18.6603 9.58544 16.3451 8.03303 5.32605 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.20865 5.46236 8.25817 5.09562 5.74854 6.4628 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 7.4371 5.74375 6.31633 5.02505 8.67766 5.70461 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 5.81552 5.16543 6.85381 7.79791 8.729 4.26804 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 9.89142 9.75316 9.82249 7.6506 6.20182 5.16577 numMergedOcc 0
9 mol 188 unq 0 iso 0 dist 7.95028 6.11696 9.24118 9.91112 8.57261 11.8438 numMergedOcc 0
10 mol 210 unq 0 iso 0 dist 6.53736 14.0406 9.67457 5.06201 5.37446 13.9851 numMergedOcc 0
11 mol 210 unq 1 iso 0 dist 8.18851 11.7201 9.67457 6.66834 5.37446 13.9851 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 9.40003 10.6403 8.49704 12.2978 6.38157 5.20422 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 8.68385 15.7236 8.49704 11.7781 6.38157 5.20422 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 8.9077 15.8912 7.31105 5.41948 5.45036 12.6425 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 8.9077 15.8912 7.31105 15.1445 9.97586 12.3625 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 7.27481 4.56782 8.7347 10.5003 8.48341 11.5459 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 8.33847 11.47 8.49299 5.02022 6.41286 11.9554 numMergedOcc 0
18 mol 230 unq 1 iso 0 dist 9.12305 8.83586 8.49299 9.81615 6.41286 11.9554 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 7.93727 7.49961 9.2433 3.94313 7.75722 6.09244 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 8.53729 5.07076 7.7993 4.60689 7.77998 5.75734 numMergedOcc 0
21 mol 253 unq 1 iso 0 dist 8.53729 11.9553 6.10761 4.60689 7.77998 10.1636 numMergedOcc 0
22 mol 253 unq 2 iso 0 dist 8.07341 7.67871 7.7993 9.18036 7.77998 5.75734 numMergedOcc 0
23 mol 253 unq 3 iso 0 dist 8.07341 12.5746 6.10761 9.18036 7.77998 10.1636 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 6.62923 6.07797 9.1118 14.4134 9.19033 16.9167 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 7.66291 12.6654 8.71213 11.8763 5.31728 6.93502 numMergedOcc 0
