0 mol 25 unq 0 iso 0 dist 8.00738 11.2749 8.6653 16.2022 10.8122 7.6114 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.00738 4.96681 7.92503 9.55662 11.0175 4.79873 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.00738 4.96681 7.92503 9.95169 10.2758 9.48085 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 9.86224 16.5113 6.85556 14.1545 6.19011 7.99919 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 6.19304 11.7888 7.99969 11.3982 6.30042 7.26268 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 8.38855 8.36943 7.26024 7.41141 3.85627 6.17207 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 8.48678 13.9683 6.7117 12.3653 3.94967 5.10496 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 8.48678 11.0642 4.47349 6.74197 3.92737 7.54889 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 8.48678 11.0642 4.47349 12.3653 3.94967 5.2571 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 8.48678 7.71768 5.65185 6.74197 3.92737 7.78931 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 8.48678 7.71768 5.65185 12.3653 3.94967 8.7497 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 7.1754 7.77542 7.80975 17.5961 15.0328 9.90751 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 7.1754 7.77542 7.80975 15.5204 12.48 9.21662 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 9.21645 11.6494 8.00003 18.2178 12.3661 8.95212 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 9.57532 12.1367 9.23858 17.932 15.7711 7.64052 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 8.61574 10.5726 9.23858 14.8889 15.7711 7.64052 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 6.87196 10.6181 7.90048 8.71539 6.39648 9.98797 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 9.18176 5.14109 6.46461 10.8108 3.87512 6.41689 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 8.30857 7.26802 7.44629 5.21801 4.02702 6.02086 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 5.25309 7.07865 5.94469 9.86015 4.98436 6.64173 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 5.25309 7.07865 5.94469 12.3619 11.9796 9.01624 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 5.25309 7.07865 5.94469 14.0951 12.3589 9.55105 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 6.65725 7.25468 6.42735 10.424 3.7949 8.97589 numMergedOcc 0
23 mol 184 unq 1 iso 0 dist 6.65725 7.25468 6.42735 9.07247 4.67256 5.96423 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 8.76398 5.97098 7.37798 11.4499 8.75651 8.21793 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 8.16005 6.69098 8.49177 8.28809 3.78984 9.59325 numMergedOcc 0
26 mol 284 unq 0 iso 0 dist 5.24993 5.87119 6.78191 10.0338 8.8835 5.83329 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 6.68183 5.81799 7.07965 12.4656 13.8094 7.20674 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 6.68183 5.81799 7.07965 10.7736 13.8468 8.38121 numMergedOcc 0
