0 mol 24 unq 0 iso 0 dist 6.80849 4.98987 6.11056 14.0145 9.90845 13.7241 13.9888 8.86116 10.4744 9.59761 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.80849 4.98987 6.11056 14.0145 9.90845 13.7241 10.1696 8.38394 6.9756 9.89489 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.47617 12.345 8.38387 17.2393 9.74445 7.67926 15.1595 8.80331 11.0096 10.323 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.47617 12.345 8.38387 17.2393 9.74445 7.67926 8.14351 6.20293 11.8286 14.445 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.13476 10.5752 5.97635 12.423 6.59893 6.31564 13.1047 9.5589 10.7219 11.9881 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.13476 10.5752 5.97635 12.423 6.59893 6.31564 10.0565 6.83299 6.76462 10.3564 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 6.13476 10.5752 5.97635 12.423 6.59893 6.31564 5.77448 8.10861 13.2619 12.4254 numMergedOcc 0
7 mol 54 unq 3 iso 0 dist 6.13476 10.5752 5.97635 9.45804 5.59773 4.94741 13.1047 9.5589 10.7219 13.9079 numMergedOcc 0
8 mol 54 unq 4 iso 0 dist 6.13476 10.5752 5.97635 9.45804 5.59773 4.94741 10.0565 6.83299 6.76462 10.4238 numMergedOcc 0
9 mol 54 unq 5 iso 0 dist 6.13476 10.5752 5.97635 9.45804 5.59773 4.94741 5.77448 8.10861 13.2619 10.1356 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 8.054 4.79314 6.78949 5.27855 8.33083 9.13822 9.57532 8.37808 7.54208 12.4383 numMergedOcc 0
11 mol 122 unq 1 iso 0 dist 8.054 5.45124 9.40018 5.27855 8.33083 3.45209 9.57532 8.37808 11.0216 12.4383 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.0847 11.6766 8.07256 17.3026 9.10619 8.50267 14.8573 8.56324 10.4039 9.66339 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 9.0847 11.6766 8.07256 17.3026 9.10619 8.50267 8.41711 6.70283 11.1874 13.9994 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 9.0847 11.6766 8.07256 17.3026 9.10619 8.50267 4.82496 7.16148 8.36099 14.2552 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 8.47457 10.5366 8.46129 5.57 7.39839 9.97999 5.15333 6.65832 6.31508 7.65225 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 8.47457 10.5366 8.46129 5.57 7.39839 9.97999 8.1404 6.60589 5.72088 4.91322 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 8.47457 10.5366 8.46129 5.57 7.39839 9.97999 15.1783 9.16166 6.51315 12.979 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 8.39522 5.58605 6.24928 11.1968 9.75174 9.87348 4.88998 6.57393 5.33567 13.477 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 9.86979 9.99077 5.89502 11.834 7.7993 4.10634 7.79167 9.02271 9.25001 13.0587 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 9.86979 9.99077 5.89502 6.26583 6.10761 4.97753 7.79167 9.02271 9.25001 4.70422 numMergedOcc 0
21 mol 253 unq 2 iso 0 dist 9.86979 11.0003 7.15815 11.834 7.7993 11.0688 7.79167 9.02271 4.93871 13.0587 numMergedOcc 0
22 mol 253 unq 3 iso 0 dist 9.86979 11.0003 7.15815 6.26583 6.10761 5.23198 7.79167 9.02271 4.93871 4.70422 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 5.29682 6.00285 5.90645 4.98212 6.77279 6.13878 5.48552 8.53687 4.62072 7.55268 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 5.29682 6.00285 5.90645 4.98212 6.77279 6.13878 5.56656 8.13497 10.4985 5.71237 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 9.64889 14.9226 9.29635 6.7593 6.90434 15.5244 15.4648 9.7748 10.8075 13.2927 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.63115 9.73504 7.74162 7.675 8.13489 11.6227 5.82892 9.70696 9.5773 5.51096 numMergedOcc 0
