0 mol 1 unq 0 iso 0 dist 9.56692 7.42008 9.44115 9.33719 5.972 8.61411 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 8.57393 8.59074 5.70192 4.52009 5.52457 6.23298 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 8.57393 10.4436 7.65646 4.52009 5.52457 9.85405 numMergedOcc 0
3 mol 67 unq 2 iso 0 dist 6.04885 8.36652 5.70192 8.28902 5.52457 6.23298 numMergedOcc 0
4 mol 67 unq 3 iso 0 dist 6.04885 6.53985 7.65646 8.28902 5.52457 9.85405 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 9.01727 11.6306 7.90328 13.5574 5.07584 6.97361 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 9.01727 11.6306 7.90328 8.07051 7.59628 8.52125 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 8.68825 6.21393 8.42487 6.13194 4.95298 6.71671 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.87854 6.17994 9.47892 9.39818 8.00732 5.28955 numMergedOcc 0
9 mol 123 unq 0 iso 0 dist 8.24275 3.4208 6.7201 11.8318 4.57557 9.28454 numMergedOcc 0
10 mol 123 unq 1 iso 0 dist 8.24275 3.4208 6.7201 10.4007 7.07913 7.97266 numMergedOcc 0
11 mol 123 unq 2 iso 0 dist 6.0636 7.19969 6.7201 9.33367 4.57557 9.28454 numMergedOcc 0
12 mol 123 unq 3 iso 0 dist 6.0636 7.19969 6.7201 12.219 7.07913 7.97266 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.1716 4.77272 8.9344 6.90904 6.8965 9.31907 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 6.3102 5.92269 8.07915 7.76167 6.94302 6.60739 numMergedOcc 0
15 mol 148 unq 1 iso 0 dist 6.3102 5.92269 8.07915 8.63766 12.3565 9.22427 numMergedOcc 0
16 mol 148 unq 2 iso 0 dist 6.3102 5.92269 8.07915 8.42082 5.58057 5.55129 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 6.25629 5.95123 7.97801 7.83202 6.83379 6.71763 numMergedOcc 0
18 mol 150 unq 1 iso 0 dist 6.25629 5.95123 7.97801 8.7107 12.2713 9.32504 numMergedOcc 0
19 mol 150 unq 2 iso 0 dist 6.25629 5.95123 7.97801 8.47493 5.55906 5.53778 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 9.69154 9.71601 8.32685 6.66634 5.92782 6.50727 numMergedOcc 0
21 mol 197 unq 1 iso 0 dist 9.69154 13.0921 6.74777 6.66634 5.92782 7.84826 numMergedOcc 0
22 mol 197 unq 2 iso 0 dist 9.69154 17.3782 9.62514 19.5071 10.1284 7.56537 numMergedOcc 0
23 mol 197 unq 3 iso 0 dist 9.69154 17.3782 9.62514 25.6949 16.3081 9.89975 numMergedOcc 0
24 mol 197 unq 4 iso 0 dist 9.49122 15.0474 8.32685 14.7064 5.92782 6.50727 numMergedOcc 0
25 mol 197 unq 5 iso 0 dist 9.49122 13.8252 6.74777 14.7064 5.92782 7.84826 numMergedOcc 0
26 mol 197 unq 6 iso 0 dist 9.49122 14.2846 9.62514 10.4673 10.1284 7.56537 numMergedOcc 0
27 mol 197 unq 7 iso 0 dist 9.49122 14.2846 9.62514 17.623 16.3081 9.89975 numMergedOcc 0
28 mol 212 unq 0 iso 0 dist 7.55989 5.40959 9.15316 10.7723 5.8232 9.89938 numMergedOcc 0
29 mol 269 unq 0 iso 0 dist 7.37926 4.50547 5.98602 6.78303 4.52168 7.97206 numMergedOcc 0
30 mol 269 unq 1 iso 0 dist 7.37926 5.57581 9.78238 6.78303 4.52168 7.1068 numMergedOcc 0
