0 mol 54 unq 0 iso 0 dist 7.51978 8.88887 5.97635 13.323 6.59893 6.31564 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 7.51978 8.88887 5.97635 10.6593 5.59773 4.94741 numMergedOcc 0
2 mol 110 unq 0 iso 0 dist 6.59361 4.88877 9.73174 6.82715 5.25492 11.3462 numMergedOcc 0
3 mol 110 unq 1 iso 0 dist 6.59361 7.46387 9.65418 6.82715 5.25492 12.1775 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.65229 6.50047 7.15985 12.9793 6.85381 8.86411 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.59784 9.25954 5.63005 6.69727 9.42766 12.1048 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 5.09114 12.0108 9.40018 12.2043 8.33083 3.45209 numMergedOcc 0
7 mol 122 unq 1 iso 0 dist 5.09114 9.14438 6.78949 12.2043 8.33083 9.13822 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 4.96326 12.148 7.30954 12.8098 9.03194 8.67242 numMergedOcc 0
9 mol 176 unq 1 iso 0 dist 9.09976 12.0324 7.30954 6.31058 9.03194 8.67242 numMergedOcc 0
10 mol 176 unq 2 iso 0 dist 9.73567 10.5247 7.30954 9.26882 9.03194 8.67242 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 5.63906 5.88166 8.03995 9.72967 7.66381 14.6683 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 6.83122 6.06185 9.51764 12.2514 8.49704 15.3761 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 6.83122 12.1024 5.36829 12.2514 8.49704 8.72971 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.82174 11.6082 6.24928 10.7991 9.75174 9.87348 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 6.42827 7.26569 6.37672 6.06312 7.29898 11.3437 numMergedOcc 0
16 mol 249 unq 1 iso 0 dist 6.42827 7.26569 6.37672 10.3054 8.91685 13.0712 numMergedOcc 0
17 mol 249 unq 2 iso 0 dist 6.42827 6.09915 8.94023 6.06312 7.29898 11.2158 numMergedOcc 0
18 mol 249 unq 3 iso 0 dist 6.42827 6.09915 8.94023 10.3054 8.91685 13.8209 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 5.76077 5.03278 5.89502 8.19585 7.7993 4.10634 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 5.76077 5.03278 5.89502 6.8205 6.10761 4.97753 numMergedOcc 0
21 mol 253 unq 2 iso 0 dist 5.76077 4.58695 7.15815 8.19585 7.7993 11.0688 numMergedOcc 0
22 mol 253 unq 3 iso 0 dist 5.76077 4.58695 7.15815 6.8205 6.10761 5.23198 numMergedOcc 0
23 mol 253 unq 4 iso 0 dist 7.0247 12.6079 5.89502 14.4438 7.7993 4.10634 numMergedOcc 0
24 mol 253 unq 5 iso 0 dist 7.0247 12.6079 5.89502 10.5134 6.10761 4.97753 numMergedOcc 0
25 mol 253 unq 6 iso 0 dist 7.0247 11.088 7.15815 14.4438 7.7993 11.0688 numMergedOcc 0
26 mol 253 unq 7 iso 0 dist 7.0247 11.088 7.15815 10.5134 6.10761 5.23198 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 9.47382 12.8939 9.54857 12.8835 7.93997 5.09929 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 5.81421 4.86861 7.04833 6.38433 8.1498 10.3384 numMergedOcc 0
29 mol 271 unq 0 iso 0 dist 5.98336 5.17979 9.36832 8.87398 7.2671 8.80706 numMergedOcc 0
30 mol 272 unq 0 iso 0 dist 7.22438 7.51377 9.96394 9.38576 6.94346 5.76243 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 8.27977 4.0145 7.74162 14.4082 8.13489 11.6227 numMergedOcc 0
