0 mol 0 unq 0 iso 0 dist 6.28506 7.79297 5.14913 4.16512 6.31889 6.91778 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.42607 6.49709 5.8961 10.4181 9.52695 5.96346 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 6.20956 6.49709 4.73237 10.4181 10.6838 5.96346 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 5.20647 8.90473 9.75778 6.09666 9.64933 7.36856 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 5.83051 8.90473 7.87345 6.09666 10.086 7.36856 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 6.48746 9.56181 4.96726 5.40109 6.23138 9.97159 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.32868 9.96446 9.29076 15.5614 12.8217 8.18107 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 7.32868 9.96446 9.29076 8.51558 10.8438 5.9465 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 7.32868 6.70686 4.39652 15.5614 12.8217 9.8859 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 7.32868 6.70686 4.39652 8.51558 10.8438 6.97962 numMergedOcc 0
10 mol 92 unq 4 iso 0 dist 8.03407 8.3558 7.17015 10.2731 13.0999 6.95572 numMergedOcc 0
11 mol 92 unq 5 iso 0 dist 8.03407 8.3558 7.17015 4.66752 10.7591 7.38677 numMergedOcc 0
12 mol 92 unq 6 iso 0 dist 6.39759 8.3558 4.52119 10.2731 9.18898 6.95572 numMergedOcc 0
13 mol 92 unq 7 iso 0 dist 6.39759 8.3558 4.52119 4.66752 7.67331 7.38677 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.89353 6.86713 5.69671 5.04455 9.49995 9.49454 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 8.3907 8.47907 4.42285 6.9595 11.7617 9.23819 numMergedOcc 0
16 mol 122 unq 1 iso 0 dist 8.3907 8.47907 4.42285 10.577 11.999 8.88537 numMergedOcc 0
17 mol 126 unq 0 iso 0 dist 8.7347 7.02525 8.85684 7.05454 9.44367 6.29233 numMergedOcc 0
18 mol 126 unq 1 iso 0 dist 8.7347 7.02525 8.85684 4.95023 11.0056 5.42406 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 6.26722 8.66715 12.7925 5.05981 6.16862 9.22232 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 6.26722 8.66715 12.7925 17.5205 21.9366 9.22661 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 6.26722 8.66715 12.7925 15.4908 18.0076 7.56378 numMergedOcc 0
22 mol 133 unq 3 iso 0 dist 5.63173 8.95433 5.36939 13.7968 9.21481 9.22232 numMergedOcc 0
23 mol 133 unq 4 iso 0 dist 5.63173 8.95433 5.36939 12.0166 11.4454 9.22661 numMergedOcc 0
24 mol 133 unq 5 iso 0 dist 5.63173 8.95433 5.36939 5.14992 7.31633 7.56378 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 8.49649 5.79157 6.36794 12.2847 11.9876 9.94764 numMergedOcc 0
26 mol 163 unq 0 iso 0 dist 9.04436 7.75045 4.12904 3.98078 9.62943 9.07943 numMergedOcc 0
27 mol 188 unq 0 iso 0 dist 8.72253 7.24099 4.04545 6.5476 10.8092 7.14503 numMergedOcc 0
28 mol 188 unq 1 iso 0 dist 8.72253 7.24099 4.04545 5.54913 9.37017 8.10214 numMergedOcc 0
29 mol 195 unq 0 iso 0 dist 5.7709 4.78641 5.90604 6.31156 8.80931 7.36683 numMergedOcc 0
30 mol 195 unq 1 iso 0 dist 5.7709 4.78641 5.90604 10.4127 12.6532 6.95086 numMergedOcc 0
31 mol 196 unq 0 iso 0 dist 6.28071 9.36732 9.8977 9.71153 10.2292 6.86319 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 5.91079 6.11505 4.78067 5.68053 5.86419 4.8668 numMergedOcc 0
33 mol 209 unq 0 iso 0 dist 6.3344 5.92907 4.1329 9.57857 10.9307 6.85935 numMergedOcc 0
34 mol 229 unq 0 iso 0 dist 4.38586 8.53615 8.65216 5.3298 9.38362 8.66332 numMergedOcc 0
35 mol 237 unq 0 iso 0 dist 5.73318 9.59483 4.51174 14.3756 9.78949 6.99315 numMergedOcc 0
36 mol 241 unq 0 iso 0 dist 5.66945 6.90245 6.72492 5.69979 10.5164 7.89524 numMergedOcc 0
37 mol 278 unq 0 iso 0 dist 8.79625 9.91518 13.5373 11.8916 18.0863 8.00673 numMergedOcc 0
38 mol 278 unq 1 iso 0 dist 9.9609 9.91518 11.4765 11.8916 12.6541 8.00673 numMergedOcc 0
