0 mol 8 unq 0 iso 0 dist 9.95422 9.00925 15.0835 6.92865 12.3778 11.3728 8.95363 17.6784 14.1033 7.8922 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.65219 9.00925 15.5539 6.92865 5.95251 11.3728 8.95363 8.4444 14.1033 7.8922 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.8824 9.3147 5.83115 7.84393 10.38 10.5285 4.93362 9.23617 8.41365 6.36455 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.8824 9.79426 13.3381 7.84393 10.38 9.84922 4.93362 9.23617 12.6305 6.36455 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 8.33492 9.3147 15.1867 7.84393 6.01189 10.5285 4.93362 8.63204 8.41365 6.36455 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 8.33492 9.79426 6.1852 7.84393 6.01189 9.84922 4.93362 8.63204 12.6305 6.36455 numMergedOcc 0
6 mol 33 unq 0 iso 0 dist 7.99091 8.43688 10.264 5.66319 5.62472 9.42379 6.24385 5.2746 10.7721 8.00177 numMergedOcc 0
7 mol 33 unq 1 iso 0 dist 9.82882 8.43688 6.40736 5.66319 6.77726 9.42379 6.24385 12.0863 10.7721 8.00177 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 6.85894 7.19203 5.22165 7.14865 7.02846 9.51008 7.12794 12.5034 13.4981 7.9814 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 5.24823 7.57822 8.47667 7.55805 5.54757 6.35372 8.4354 11.9034 8.21549 9.44561 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 8.37469 7.86207 15.7127 8.9077 16.7786 4.90657 5.41948 13.4238 6.50846 5.45036 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 8.37469 7.86207 15.7127 8.9077 16.7786 4.90657 15.1445 20.8596 14.8113 9.97586 numMergedOcc 0
12 mol 223 unq 0 iso 0 dist 9.03969 9.29204 12.1037 9.94212 10.6103 18.385 6.33419 10.2511 15.308 6.13306 numMergedOcc 0
13 mol 223 unq 1 iso 0 dist 9.03969 9.14789 14.841 9.94212 10.6103 19.0281 6.33419 10.2511 15.0631 6.13306 numMergedOcc 0
14 mol 223 unq 2 iso 0 dist 9.03969 7.80764 11.4317 9.94212 10.6103 4.67731 6.33419 10.2511 6.82737 6.13306 numMergedOcc 0
15 mol 223 unq 3 iso 0 dist 9.03969 5.75896 4.44076 9.94212 10.6103 7.19485 6.33419 10.2511 6.80967 6.13306 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 5.22312 8.36396 9.09385 8.0007 6.44004 11.2438 7.57247 9.3376 9.39295 5.77318 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 9.26431 6.23346 4.32804 8.56954 5.56464 5.53578 6.46721 9.81251 5.51163 9.09271 numMergedOcc 0
18 mol 230 unq 1 iso 0 dist 9.26431 6.23346 4.32804 9.23938 10.1392 7.7551 6.46721 9.81251 5.51163 7.44838 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 8.67216 7.38609 6.34332 7.93727 6.25282 6.25956 3.94313 10.6746 7.22411 7.75722 numMergedOcc 0
