0 mol 19 unq 0 iso 0 dist 9.69454 4.20374 7.48847 10.4238 6.42867 6.39966 17.2741 15.4288 13.9675 9.95212 numMergedOcc 0
1 mol 60 unq 0 iso 0 dist 6.27749 11.7103 8.82176 9.34193 5.32257 4.65127 13.1258 11.6165 4.82351 8.97364 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 6.67936 6.4628 5.88354 4.96613 4.67519 6.62972 5.24592 5.59328 8.53212 7.14031 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 8.25817 6.4628 5.74854 4.96613 10.4027 6.62972 5.24592 7.5242 8.53212 7.14031 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 6.85381 4.26804 8.729 9.69961 5.39346 9.77017 9.59885 10.7886 7.22444 7.80873 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 8.42445 10.9798 6.34525 19.5327 12.7083 9.35942 17.8788 14.1487 10.5177 8.42878 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.93703 7.09096 7.99623 6.13508 7.45148 9.9151 5.01597 8.99399 4.99495 7.20249 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 8.97145 13.3078 9.29384 18.4941 13.1439 5.44303 17.3837 14.9021 5.66194 5.87084 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 6.5874 10.6416 9.29384 15.5064 13.1439 5.44303 15.3722 14.9021 5.66194 5.87084 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.42756 8.81081 6.69515 13.1575 10.1386 4.46777 11.5144 11.0743 5.38571 6.83404 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 7.32478 14.1302 8.83356 11.9074 7.11753 5.68348 7.75447 6.72379 7.50057 6.38324 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 7.32478 14.1302 8.83356 11.9074 7.11753 5.68348 16.749 12.645 5.92931 6.1886 numMergedOcc 0
12 mol 194 unq 2 iso 0 dist 9.48439 13.752 8.83356 10.896 7.11753 5.68348 6.38935 6.72379 7.50057 6.38324 numMergedOcc 0
13 mol 194 unq 3 iso 0 dist 9.48439 13.752 8.83356 10.896 7.11753 5.68348 14.6792 12.645 5.92931 6.1886 numMergedOcc 0
14 mol 274 unq 0 iso 0 dist 9.696 16.1684 9.56685 13.0106 5.29529 8.2997 14.679 9.85289 5.36428 6.88827 numMergedOcc 0
15 mol 274 unq 1 iso 0 dist 9.696 16.1684 9.56685 13.0106 5.29529 8.2997 19.7858 14.1515 14.986 9.16942 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 9.98528 7.01469 6.57903 13.4835 6.28695 7.85414 11.6565 10.5329 5.43373 8.20644 numMergedOcc 0
