0 mol 19 unq 0 iso 0 dist 5.36258 6.57145 8.23643 12.8718 14.4867 7.75618 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 7.38586 5.62318 6.08338 14.1217 10.2036 9.06424 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 5.88852 5.78908 7.685 14.0934 12.9735 8.6653 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.33936 14.036 8.68559 13.5001 7.14527 7.99969 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.24447 5.60777 7.96555 7.31426 6.85455 5.37007 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 6.00131 6.09495 8.36431 8.96747 10.2475 8.91313 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 6.00131 6.09495 8.36431 10.6424 6.94695 8.16392 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 6.0026 6.89762 8.72704 12.7644 11.0949 7.38135 numMergedOcc 0
8 mol 101 unq 0 iso 0 dist 7.43143 5.82598 9.57816 7.73086 7.83985 7.61685 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.41608 5.81718 9.80862 6.67326 4.95807 6.73586 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 6.36583 5.81718 8.43904 6.67326 7.39626 6.73586 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 8.40972 5.55582 6.15769 11.2528 6.56076 8.29382 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 8.40972 5.55582 6.15769 9.30761 10.0315 6.72379 numMergedOcc 0
13 mol 194 unq 2 iso 0 dist 7.03163 6.12629 6.15769 12.5961 6.56076 8.29382 numMergedOcc 0
14 mol 194 unq 3 iso 0 dist 7.03163 6.12629 6.15769 12.6731 10.0315 6.72379 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 7.87164 11.2453 9.29858 16.8938 10.3809 9.24557 numMergedOcc 0
16 mol 249 unq 0 iso 0 dist 9.02486 12.5843 8.83735 15.2599 10.639 5.48118 numMergedOcc 0
17 mol 278 unq 0 iso 0 dist 8.56781 4.69872 6.35287 10.1379 7.83538 8.00673 numMergedOcc 0
18 mol 278 unq 1 iso 0 dist 9.95186 8.66976 6.35287 14.1922 7.83538 8.00673 numMergedOcc 0
