0 mol 21 unq 0 iso 0 dist 5.27589 9.24767 8.60952 10.0167 8.07914 13.1675 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 7.65981 6.68114 8.3816 8.24859 8.11345 13.6694 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.8599 8.94487 7.81816 11.4822 6.3141 13.1841 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.23755 7.10218 4.93697 10.3397 7.58027 10.2801 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.23755 7.10218 4.93697 8.31117 4.34694 7.47162 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 9.93275 8.56119 4.76634 5.64101 9.86325 10.4541 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.26306 9.08834 4.41928 4.65575 7.57394 5.58681 numMergedOcc 0
7 mol 94 unq 0 iso 0 dist 6.63924 8.97936 6.04201 4.48902 9.25496 13.0943 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 7.90927 9.16431 5.21593 11.8843 8.03869 12.3012 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 9.82711 6.6014 7.90985 6.61379 8.64054 5.64587 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 5.96435 8.88633 7.90985 6.53583 8.64054 5.64587 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 5.19029 8.8639 7.17096 5.92304 7.57031 13.2688 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 5.19029 7.32009 7.88526 5.92304 7.57031 12.0319 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 8.3941 8.08491 13.7639 8.14211 5.61326 14.5648 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 6.58174 7.59666 5.9546 10.9794 6.20044 11.8392 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 6.58174 7.59666 5.9546 9.00243 8.41232 13.7325 numMergedOcc 0
16 mol 204 unq 2 iso 0 dist 6.58174 6.51936 5.9943 10.9794 6.20044 9.50364 numMergedOcc 0
17 mol 204 unq 3 iso 0 dist 6.58174 6.51936 5.9943 9.00243 8.41232 10.5885 numMergedOcc 0
18 mol 209 unq 0 iso 0 dist 8.67577 7.56664 5.55161 8.04189 9.79293 11.5506 numMergedOcc 0
19 mol 209 unq 1 iso 0 dist 8.67577 9.65614 7.68366 8.04189 9.79293 14.8457 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 7.24175 6.28826 5.77142 11.0439 5.86911 8.71354 numMergedOcc 0
21 mol 214 unq 1 iso 0 dist 7.24175 6.28826 5.77142 8.85251 7.89258 9.51538 numMergedOcc 0
22 mol 226 unq 0 iso 0 dist 8.64849 8.34875 5.32326 9.4366 8.52996 12.8146 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 5.46484 5.9625 7.69003 5.81446 7.74348 8.75172 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 8.49961 9.77592 10.87 13.284 8.48545 18.8039 numMergedOcc 0
25 mol 240 unq 0 iso 0 dist 7.84314 7.78879 5.79131 8.48707 7.19218 11.8505 numMergedOcc 0
26 mol 250 unq 0 iso 0 dist 9.79531 8.43058 5.17779 9.85962 7.89067 10.2736 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 4.49395 7.12723 5.62841 9.47966 7.872 12.1144 numMergedOcc 0
28 mol 285 unq 1 iso 0 dist 4.49395 7.12723 5.62841 6.49869 6.32984 11.6344 numMergedOcc 0
