0 mol 34 unq 0 iso 0 dist 5.68877 7.10899 4.30086 13.0514 11.0775 6.87871 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 7.88321 5.73067 6.31521 5.47531 12.3704 9.23576 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.34361 5.97635 5.65405 6.31564 10.4186 6.59893 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 8.34361 5.97635 5.65405 4.94741 6.10175 5.59773 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 4.98783 8.4545 11.5195 9.84923 11.3414 7.86724 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 9.28645 7.15985 9.99381 8.86411 12.1635 6.85381 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 7.46875 7.81337 5.29825 6.68239 5.50364 8.97145 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 7.46875 7.81337 5.29825 7.74794 8.7301 6.5874 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 9.51041 8.58906 12.5716 7.44933 16.3925 9.57611 numMergedOcc 0
9 mol 207 unq 0 iso 0 dist 7.98453 9.18896 5.62653 6.26853 4.55528 5.08312 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 7.71569 5.36829 5.68711 8.72971 5.69733 8.49704 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 9.18345 6.24928 5.33697 9.87348 14.9437 9.75174 numMergedOcc 0
12 mol 253 unq 0 iso 0 dist 8.11437 7.15815 7.07333 11.0688 14.2163 7.7993 numMergedOcc 0
13 mol 253 unq 1 iso 0 dist 8.11437 7.15815 7.07333 5.23198 10.795 6.10761 numMergedOcc 0
14 mol 257 unq 0 iso 0 dist 9.27027 6.36911 8.6219 5.95774 10.7763 4.97263 numMergedOcc 0
15 mol 257 unq 1 iso 0 dist 9.27027 6.36911 8.6219 4.80733 13.3148 7.0132 numMergedOcc 0
16 mol 257 unq 2 iso 0 dist 9.27027 7.82899 6.64096 5.95774 10.7763 5.36776 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 6.41167 5.73834 5.13233 3.95075 6.59521 8.58088 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 5.16838 5.90645 5.20592 6.13878 9.16548 6.77279 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 7.03782 9.09967 7.60191 5.66978 5.59151 7.79904 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 7.03782 9.09967 7.60191 10.88 8.17922 9.86142 numMergedOcc 0
21 mol 274 unq 2 iso 0 dist 7.03782 8.49076 13.8866 5.66978 5.59151 9.02749 numMergedOcc 0
22 mol 274 unq 3 iso 0 dist 9.04647 9.65265 5.56999 5.88732 7.24089 6.00877 numMergedOcc 0
23 mol 274 unq 4 iso 0 dist 9.04647 9.65265 5.56999 10.5583 10.0585 8.66451 numMergedOcc 0
