0 mol 0 unq 0 iso 0 dist 8.82652 10.1875 9.72725 12.7669 6.0225 7.65806 7.48581 6.94943 9.64573 9.19007 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.82652 10.1875 9.72725 12.7669 6.0225 7.65806 11.4449 11.5705 6.05328 9.56794 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.14598 9.20254 7.95042 10.4452 5.11636 8.86116 13.674 8.24948 6.58998 6.72502 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.0979 10.1001 6.66407 11.7216 5.07458 5.73819 12.698 7.24352 5.64171 8.60739 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 6.84952 5.82029 7.02507 10.8197 7.03983 6.48948 18.0439 13.4099 13.4985 7.26086 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 8.86846 6.06198 6.04595 12.411 5.03039 7.30858 11.5674 8.4965 5.61704 5.72642 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 9.17216 13.4463 6.70693 13.9365 4.94983 5.87555 12.755 7.1069 5.59336 8.35555 numMergedOcc 0
7 mol 152 unq 1 iso 0 dist 9.40483 11.3742 6.70693 13.1463 4.94983 5.87555 6.79236 7.1069 5.59336 8.35555 numMergedOcc 0
8 mol 192 unq 0 iso 0 dist 9.63224 6.34098 9.78634 11.1541 9.53265 5.59424 12.964 15.493 7.0057 7.24199 numMergedOcc 0
9 mol 192 unq 1 iso 0 dist 6.98794 6.34098 5.64942 11.1541 6.35474 5.59424 12.964 11.7494 7.0057 7.24199 numMergedOcc 0
10 mol 192 unq 2 iso 0 dist 6.98794 9.57246 6.97962 11.1541 6.35474 7.00794 12.964 11.7494 8.51255 7.24199 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 6.75579 4.25942 6.52816 9.82156 9.49403 6.03031 8.17894 10.183 5.28092 8.44861 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 6.75579 4.25942 6.52816 10.4618 13.514 7.26832 8.17894 10.183 5.28092 5.60393 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 8.57781 15.4433 8.08349 13.3678 5.13732 6.61986 15.7052 8.54702 4.59567 8.37597 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 5.36326 4.55824 8.08349 7.04127 5.13732 6.61986 6.23345 8.54702 4.59567 8.37597 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.67281 7.01206 9.12776 13.8075 10.3162 7.31233 13.7036 12.1568 7.83352 5.64181 numMergedOcc 0
16 mol 272 unq 0 iso 0 dist 5.38409 4.78295 6.44147 8.82094 5.12237 8.48753 9.7816 10.6235 6.59863 9.05222 numMergedOcc 0
17 mol 272 unq 1 iso 0 dist 8.45524 8.26567 6.44147 9.80332 5.12237 8.48753 11.6389 10.6235 6.59863 9.05222 numMergedOcc 0
