0 mol 0 unq 0 iso 0 dist 7.79297 11.9798 8.82102 11.7303 7.65806 4.87624 6.73401 9.67081 8.21826 8.29174 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.06275 5.71662 9.74445 5.5249 8.80331 10.323 7.62357 9.02471 5.46849 12.6657 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.06275 5.71662 9.74445 10.4413 6.20293 14.445 7.62357 9.02471 5.46849 14.0654 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 8.90024 18.5048 9.74445 13.9129 8.80331 10.323 16.9091 9.02471 5.46849 12.6657 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 8.90024 18.5048 9.74445 5.84171 6.20293 14.445 16.9091 9.02471 5.46849 14.0654 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.71345 5.67441 8.42445 6.49725 7.5732 7.18757 11.5242 9.93438 13.1958 6.25685 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 8.47907 6.85647 8.33083 9.75696 8.37808 12.4383 12.1473 4.42563 12.2092 7.90729 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 8.34839 5.80854 9.10619 5.65129 8.56324 9.66339 14.1262 9.00072 17.3816 12.2243 numMergedOcc 0
8 mol 152 unq 1 iso 0 dist 8.34839 5.80854 9.10619 10.5295 6.70283 13.9994 14.1262 9.00072 17.3816 4.73288 numMergedOcc 0
9 mol 152 unq 2 iso 0 dist 8.34839 5.80854 9.10619 10.7929 7.16148 14.2552 14.1262 9.00072 17.3816 4.70284 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 8.04723 6.1397 8.0974 14.4072 6.69288 12.2822 12.3914 4.72821 12.4011 4.69387 numMergedOcc 0
11 mol 178 unq 1 iso 0 dist 8.04723 6.1397 8.0974 13.0519 6.43573 12.4338 12.3914 4.72821 12.4011 3.70233 numMergedOcc 0
12 mol 178 unq 2 iso 0 dist 8.04723 6.1397 8.0974 10.5681 7.17202 13.9722 12.3914 4.72821 12.4011 7.39705 numMergedOcc 0
13 mol 178 unq 3 iso 0 dist 8.04723 6.1397 8.0974 9.1499 8.81551 13.5599 12.3914 4.72821 12.4011 9.77268 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.57514 8.21257 8.43584 5.56395 9.61492 12.4616 13.7017 9.31158 14.8213 10.8636 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 8.57514 8.21257 8.43584 12.397 7.45763 10.6123 13.7017 9.31158 14.8213 5.42503 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 6.11505 5.03046 8.43584 9.35174 9.61492 12.4616 13.9601 9.31158 14.8213 10.8636 numMergedOcc 0
17 mol 205 unq 3 iso 0 dist 6.11505 5.03046 8.43584 11.3225 7.45763 10.6123 13.9601 9.31158 14.8213 5.42503 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 8.58471 15.9233 9.67457 10.3518 6.18308 5.82028 8.19655 6.85824 8.81074 4.29623 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 8.82778 12.7518 6.37342 11.4665 6.16342 5.29737 10.7268 4.43499 7.72768 4.32238 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 9.13226 11.0263 9.696 10.7073 7.56915 10.7962 8.82131 9.83622 10.9841 4.24652 numMergedOcc 0
21 mol 274 unq 1 iso 0 dist 9.13226 11.0263 9.696 11.3302 8.49997 5.1874 8.82131 9.83622 10.9841 7.38951 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 7.23956 7.09461 6.90434 15.6875 9.7748 13.2927 9.7252 4.9764 11.5613 11.8607 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 7.23956 7.09461 6.90434 15.6875 9.7748 13.2927 10.5201 6.36559 13.0566 10.9137 numMergedOcc 0
