0 mol 71 unq 0 iso 0 dist 5.75102 5.21993 7.82219 12.2856 8.92529 15.9398 12.5726 8.21553 14.291 6.10737 numMergedOcc 0
1 mol 71 unq 1 iso 0 dist 5.75102 5.21993 7.82219 12.2856 8.92529 15.9398 8.943 8.22762 12.1314 6.78097 numMergedOcc 0
2 mol 71 unq 2 iso 0 dist 8.80254 5.73879 7.82219 14.1584 8.92529 15.9398 12.1296 8.21553 14.291 6.10737 numMergedOcc 0
3 mol 71 unq 3 iso 0 dist 8.80254 5.73879 7.82219 14.1584 8.92529 15.9398 8.50849 8.22762 12.1314 6.78097 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 9.15982 6.68983 5.33859 11.2753 6.54778 8.40389 6.29844 5.97879 5.7144 5.0333 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 6.78551 7.34585 9.61656 11.7558 8.9864 17.3913 8.69043 9.69673 15.4517 9.33442 numMergedOcc 0
6 mol 124 unq 0 iso 0 dist 6.31232 9.18988 10.4469 8.28232 7.18976 14.3191 6.27128 7.23052 9.88568 5.1738 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 4.46578 8.64976 4.97581 10.008 8.76088 12.7121 6.89903 8.96061 13.0577 8.99025 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 4.46578 9.52159 7.96289 10.008 8.76088 16.6625 6.89903 8.96061 14.8099 8.99025 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 6.6514 5.57495 8.23378 8.3419 7.20545 13.1213 6.7811 8.58946 11.9239 4.70374 numMergedOcc 0
10 mol 167 unq 1 iso 0 dist 6.6514 9.38297 12.2546 8.3419 7.20545 16.1368 6.7811 8.58946 15.9727 4.70374 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 9.58783 4.68544 13.7197 11.4343 9.11481 15.9581 7.2363 8.8573 11.423 5.06947 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 7.03216 8.45614 12.8965 4.60682 8.27913 12.7488 7.48422 9.36307 13.5224 8.27268 numMergedOcc 0
13 mol 198 unq 0 iso 0 dist 7.91967 9.42723 8.69902 9.72265 9.87574 9.40433 9.88249 7.24395 14.4021 10.0277 numMergedOcc 0
14 mol 198 unq 1 iso 0 dist 7.83611 8.37455 9.62353 17.1351 9.87574 18.9724 12.0915 7.24395 13.8874 10.0277 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 9.66533 8.70011 10.0389 13.587 4.36421 14.1246 11.4345 7.77535 16.026 7.98893 numMergedOcc 0
16 mol 284 unq 0 iso 0 dist 5.62295 6.52085 7.38786 10.8669 7.74965 14.332 12.4046 8.08993 13.6211 4.76222 numMergedOcc 0
17 mol 284 unq 1 iso 0 dist 5.62295 6.52085 7.38786 10.8669 7.74965 14.332 10.5879 7.34344 10.4877 13.4636 numMergedOcc 0
18 mol 284 unq 2 iso 0 dist 5.62295 9.84174 11.9492 10.8669 7.74965 13.0377 12.4046 8.08993 13.1224 4.76222 numMergedOcc 0
19 mol 284 unq 3 iso 0 dist 5.62295 9.84174 11.9492 10.8669 7.74965 13.0377 10.5879 7.34344 18.8246 13.4636 numMergedOcc 0
