0 mol 46 unq 0 iso 0 dist 9.14996 5.76869 7.35107 9.50444 14.3159 7.78646 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 9.14996 7.70084 14.2994 9.50444 14.3159 6.14702 numMergedOcc 0
2 mol 46 unq 2 iso 0 dist 9.47718 5.76869 8.85515 9.50444 10.8201 7.78646 numMergedOcc 0
3 mol 46 unq 3 iso 0 dist 9.47718 7.70084 13.2356 9.50444 10.8201 6.14702 numMergedOcc 0
4 mol 46 unq 4 iso 0 dist 8.9459 5.76869 10.1002 9.50444 4.72547 7.78646 numMergedOcc 0
5 mol 46 unq 5 iso 0 dist 8.9459 7.70084 4.16289 9.50444 4.72547 6.14702 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 6.72531 8.86877 5.28198 9.42728 4.06424 7.21306 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 6.72531 8.86877 5.28198 7.93341 5.63196 4.88983 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 9.5915 8.34361 14.8102 4.38047 12.377 5.01159 numMergedOcc 0
9 mol 74 unq 0 iso 0 dist 9.3664 9.33277 7.11496 6.49521 11.3868 10.8474 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 7.97999 7.88704 13.7016 5.91009 8.73164 5.97632 numMergedOcc 0
11 mol 83 unq 1 iso 0 dist 7.97999 9.54782 9.41602 5.91009 8.73164 11.351 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 8.00003 5.4421 4.72553 9.73165 5.99589 6.14352 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 9.59503 4.98783 13.8441 5.62309 11.9687 5.60494 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 9.59503 4.98783 13.8441 7.11438 12.841 4.76916 numMergedOcc 0
15 mol 92 unq 2 iso 0 dist 9.61119 4.98783 14.4048 5.62309 11.8069 5.60494 numMergedOcc 0
16 mol 92 unq 3 iso 0 dist 9.61119 4.98783 14.4048 7.11438 15.4853 4.76916 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 7.84249 9.28645 4.59061 5.42828 6.43704 5.54999 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 9.64281 9.15172 13.0381 5.37302 9.01097 11.6513 numMergedOcc 0
19 mol 162 unq 0 iso 0 dist 9.50603 9.32658 17.1224 8.88796 4.12331 17.359 numMergedOcc 0
20 mol 163 unq 0 iso 0 dist 7.5447 6.96837 7.1643 9.62943 14.0837 8.83719 numMergedOcc 0
21 mol 163 unq 1 iso 0 dist 9.04757 6.96837 9.30415 9.62943 6.09134 8.83719 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 8.86645 9.99964 11.6831 5.97968 5.18154 7.23046 numMergedOcc 0
23 mol 195 unq 0 iso 0 dist 8.97651 9.39697 9.79531 8.13947 4.13357 6.45756 numMergedOcc 0
24 mol 195 unq 1 iso 0 dist 8.97651 4.86882 6.4405 8.13947 4.13357 5.65165 numMergedOcc 0
25 mol 244 unq 0 iso 0 dist 5.06669 8.19381 8.71894 5.79898 10.6799 11.4169 numMergedOcc 0
26 mol 244 unq 1 iso 0 dist 5.06669 8.93421 7.94286 5.79898 10.6799 12.7764 numMergedOcc 0
27 mol 244 unq 2 iso 0 dist 5.06669 7.35657 5.36127 5.79898 10.6799 12.7037 numMergedOcc 0
28 mol 244 unq 3 iso 0 dist 5.06669 6.19605 6.81518 5.79898 10.6799 8.63792 numMergedOcc 0
29 mol 244 unq 4 iso 0 dist 5.65248 8.19381 8.52699 5.79898 8.05133 11.4169 numMergedOcc 0
30 mol 244 unq 5 iso 0 dist 5.65248 8.93421 12.4452 5.79898 8.05133 12.7764 numMergedOcc 0
31 mol 244 unq 6 iso 0 dist 5.65248 7.35657 11.2736 5.79898 8.05133 12.7037 numMergedOcc 0
32 mol 244 unq 7 iso 0 dist 5.65248 6.19605 7.59011 5.79898 8.05133 8.63792 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 8.37512 6.41167 5.76241 8.63176 5.32742 9.76914 numMergedOcc 0
