0 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 7.67459 8.75469 8.03754 16.4993 12.8035 9.83618 10.1053 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 7.53564 5.90113 9.74445 10.5084 8.75469 8.03754 14.2386 12.8035 9.83618 10.1053 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 6.85094 7.15161 5.92705 15.4195 13.2942 8.44473 13.6867 7.34319 8.76003 10.8911 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 9.94756 18.7183 9.62468 19.3827 12.9303 8.44473 15.5943 6.91052 8.76003 10.8911 numMergedOcc 0
4 mol 152 unq 0 iso 0 dist 8.84852 9.50073 9.10619 9.27341 7.53439 8.41774 16.6251 10.5988 9.13561 10.8622 numMergedOcc 0
5 mol 214 unq 0 iso 0 dist 5.69733 5.68711 8.49704 15.5551 17.1631 9.92165 12.4978 13.4309 6.97182 4.40728 numMergedOcc 0
6 mol 214 unq 1 iso 0 dist 5.69733 5.68711 8.49704 15.5551 17.1631 9.92165 11.0481 13.5787 6.1175 5.75872 numMergedOcc 0
7 mol 220 unq 0 iso 0 dist 4.3362 9.20027 7.31105 10.8891 10.1832 5.39218 15.4657 12.3402 6.84247 9.46015 numMergedOcc 0
8 mol 220 unq 1 iso 0 dist 4.3362 9.20027 7.31105 10.8891 10.1832 5.39218 8.57161 7.84277 6.99002 4.51612 numMergedOcc 0
9 mol 224 unq 0 iso 0 dist 4.99301 5.25583 6.56437 11.2656 11.5364 7.49783 12.1103 11.7838 7.06793 4.76056 numMergedOcc 0
10 mol 224 unq 1 iso 0 dist 4.99301 5.25583 6.56437 11.2656 11.5364 7.49783 11.055 10.4999 6.67585 10.7068 numMergedOcc 0
11 mol 224 unq 2 iso 0 dist 6.36813 5.25583 6.23882 11.2656 6.88745 7.49783 12.1103 9.57742 7.06793 4.76056 numMergedOcc 0
12 mol 224 unq 3 iso 0 dist 6.36813 5.25583 6.23882 11.2656 6.88745 7.49783 11.055 12.0368 6.67585 10.7068 numMergedOcc 0
13 mol 224 unq 4 iso 0 dist 7.7163 11.8217 9.34636 12.1661 9.9943 7.49783 9.97425 5.46434 7.06793 4.76056 numMergedOcc 0
14 mol 224 unq 5 iso 0 dist 7.7163 11.8217 9.34636 12.1661 9.9943 7.49783 10.7344 5.03449 6.67585 10.7068 numMergedOcc 0
15 mol 224 unq 6 iso 0 dist 9.06201 11.9904 9.34636 8.96263 9.9943 7.49783 8.39753 5.46434 7.06793 4.76056 numMergedOcc 0
16 mol 224 unq 7 iso 0 dist 9.06201 11.9904 9.34636 8.96263 9.9943 7.49783 12.5544 5.03449 6.67585 10.7068 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 5.66519 8.68833 7.29898 12.1703 10.254 6.26142 9.72224 4.16447 8.83735 10.0505 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 6.50067 8.68833 8.91685 12.1703 8.81984 6.26142 9.72224 6.74838 8.83735 10.0505 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 5.96276 5.55516 5.90381 9.78704 7.53628 6.11671 12.1707 10.8128 7.50578 3.83813 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.42812 16.2915 6.90434 13.9579 5.95045 4.81916 14.4323 9.14131 9.41725 6.20663 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 6.40686 4.89059 5.67266 11.34 8.78407 7.71088 10.0695 5.41716 8.8673 6.7858 numMergedOcc 0
22 mol 282 unq 1 iso 0 dist 7.14443 4.89059 5.80981 11.34 5.33059 7.71088 10.0695 5.37323 8.8673 6.7858 numMergedOcc 0
