0 mol 5 unq 0 iso 0 dist 6.99733 9.13355 4.59167 4.8206 7.75279 11.0809 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 7.43338 6.03151 3.66253 7.52184 8.63312 9.9638 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 4.80247 7.89184 3.54989 7.62116 9.45622 12.5227 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 4.80247 5.91948 4.67834 7.62116 9.45622 6.54758 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 5.37449 8.8326 5.34337 4.55325 8.79971 11.9412 numMergedOcc 0
5 mol 87 unq 0 iso 0 dist 7.35921 9.08749 6.42891 4.78036 9.42123 7.51011 numMergedOcc 0
6 mol 87 unq 1 iso 0 dist 7.35921 9.08749 6.42891 11.8835 9.67406 16.003 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 6.21554 9.58844 6.5713 5.74226 7.93346 6.98077 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 6.48475 8.4088 6.29799 5.89191 9.47845 13.246 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 6.48475 8.4088 6.29799 6.08258 8.89232 11.1691 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 6.00896 6.41759 7.45747 5.60785 7.76297 11.7855 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 4.62366 6.91511 4.65363 5.21599 9.714 11.2218 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 7.25362 6.92823 4.7106 5.18043 5.8325 8.71347 numMergedOcc 0
13 mol 212 unq 0 iso 0 dist 7.98724 8.43638 7.52135 8.72678 8.99065 12.2699 numMergedOcc 0
14 mol 228 unq 0 iso 0 dist 6.97798 9.96994 4.61961 4.95664 8.72746 9.94849 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 7.30003 6.50932 3.89748 7.34151 8.74649 8.31344 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 8.92121 8.03092 11.1207 8.65126 9.40943 8.9327 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 7.2154 8.48003 6.87269 4.96479 7.20531 9.71196 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 7.2154 5.54003 4.4421 4.96479 7.20531 7.89993 numMergedOcc 0
19 mol 247 unq 0 iso 0 dist 8.64941 5.52484 3.42642 11.346 6.32156 7.95874 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 9.11322 9.38914 8.83156 17.2375 9.70022 17.5709 numMergedOcc 0
21 mol 274 unq 1 iso 0 dist 9.11322 9.38914 8.83156 5.44831 7.32898 11.6347 numMergedOcc 0
22 mol 276 unq 0 iso 0 dist 5.54217 9.53331 5.97699 8.00091 8.26741 13.4156 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 6.53354 8.39635 7.87842 5.2842 8.63928 9.60873 numMergedOcc 0
