0 mol 18 unq 0 iso 0 dist 7.66002 8.95573 5.61403 6.91413 13.0231 11.2059 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.83177 8.95573 13.8893 6.91413 5.47388 11.2059 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.25342 8.71628 5.48326 6.81416 6.39663 6.31611 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 7.81535 5.79041 5.19964 6.40398 9.88348 10.7491 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.53191 6.21143 8.89137 6.22124 12.1722 5.99852 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.79798 9.62702 12.1565 7.05954 11.2334 6.39495 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 8.79798 6.97484 4.98716 7.05954 11.2334 8.23539 numMergedOcc 0
7 mol 94 unq 0 iso 0 dist 8.32077 6.64613 10.6036 7.63006 13.9748 5.64735 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 7.87576 9.6785 6.45112 5.36473 5.83696 7.27945 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.34402 4.95674 10.546 8.37793 8.2303 7.68389 numMergedOcc 0
10 mol 226 unq 0 iso 0 dist 6.87447 6.65658 5.17976 8.33858 9.58999 5.61577 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 6.53411 6.50118 4.85351 5.5826 5.87397 6.48619 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 6.53411 9.3099 6.85541 5.5826 5.87397 5.8333 numMergedOcc 0
13 mol 264 unq 0 iso 0 dist 7.97228 5.50677 9.74595 9.91954 15.3921 13.2809 numMergedOcc 0
14 mol 264 unq 1 iso 0 dist 7.97228 8.75957 13.7336 9.91954 15.3921 10.9186 numMergedOcc 0
15 mol 272 unq 0 iso 0 dist 9.97011 6.27189 9.40847 5.84259 9.32787 4.61146 numMergedOcc 0
16 mol 272 unq 1 iso 0 dist 9.97011 6.27189 9.40847 9.00781 6.09614 6.3139 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 8.88613 8.8896 13.6692 9.27043 17.6526 8.06664 numMergedOcc 0
18 mol 274 unq 1 iso 0 dist 8.88613 8.8896 13.6692 7.95244 16.593 11.3657 numMergedOcc 0
19 mol 274 unq 2 iso 0 dist 8.88613 8.8896 13.6692 5.57832 13.3173 7.73777 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 9.91042 7.86196 7.47947 5.78275 6.17439 8.73481 numMergedOcc 0
