0 mol 21 unq 0 iso 0 dist 7.01513 4.0454 7.05407 10.6656 4.20216 9.35562 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 8.09082 10.0518 7.05407 4.82549 4.20216 9.35562 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 5.39587 10.0272 7.01952 9.56266 4.22398 7.79336 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 5.39587 6.65242 4.58552 9.56266 4.22398 7.08559 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 5.39587 6.65242 4.58552 5.73257 8.82586 8.63635 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.94487 6.11164 8.92221 12.1766 5.58651 8.97507 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.72469 3.62638 5.7369 9.46609 5.6999 7.95451 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 8.54304 9.02908 7.65564 5.43229 5.78043 8.0168 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 7.96353 6.67639 8.14226 8.80672 4.44936 5.73203 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 7.96353 4.4987 5.78982 8.80672 4.44936 6.57379 numMergedOcc 0
10 mol 135 unq 0 iso 0 dist 9.77227 13.414 9.79585 18.0061 10.093 9.09753 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 9.11314 15.2752 9.29944 18.2372 9.4389 7.46803 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 8.13526 4.94644 6.69042 14.0829 12.627 9.27218 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 7.59666 5.10199 9.26214 9.01666 8.39741 5.3819 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 6.51936 5.10199 5.00369 9.01666 4.08137 5.3819 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 5.56977 10.4985 9.43017 18.5628 17.0808 8.70987 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 6.28826 5.055 4.85332 8.20906 7.451 9.58372 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 6.0751 6.49444 9.01338 5.34745 6.80416 8.24424 numMergedOcc 0
