0 mol 16 unq 0 iso 0 dist 7.03948 6.42835 9.87867 6.92781 5.47769 11.0298 5.30082 11.7521 5.94982 10.4366 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.03948 6.42835 9.87867 10.7015 6.58035 15.3667 5.30082 11.7521 5.94982 15.1671 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 11.0466 7.58407 18.0198 14.0374 18.9163 9.02642 24.8778 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 5.90225 6.31428 13.1897 14.0374 18.9163 9.02642 19.0104 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 8.89374 8.96727 14.6599 5.35073 8.63333 13.3281 5.49591 9.11258 9.01564 10.2049 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 8.89374 8.96727 14.6599 8.62958 6.46761 14.4498 5.49591 9.11258 9.01564 5.85698 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 8.89374 8.96727 14.6599 14.176 9.73139 20.9029 5.49591 9.11258 9.01564 12.2123 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 8.89374 8.01308 9.47022 5.35073 8.63333 11.5155 5.49591 9.11258 7.11065 10.2049 numMergedOcc 0
8 mol 58 unq 6 iso 0 dist 8.89374 8.01308 9.47022 8.62958 6.46761 10.6166 5.49591 9.11258 7.11065 5.85698 numMergedOcc 0
9 mol 58 unq 7 iso 0 dist 8.89374 8.01308 9.47022 14.176 9.73139 16.7574 5.49591 9.11258 7.11065 12.2123 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.70133 9.73086 6.15714 7.4697 5.64598 10.9476 5.11416 7.10439 6.14542 8.44406 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.70133 9.73086 6.15714 5.4148 4.65521 7.4369 5.11416 7.10439 6.14542 6.56633 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 4.65521 8.68662 6.10063 5.4148 8.70133 12.2276 6.56633 7.10439 8.96616 5.11416 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 4.65521 8.68662 6.10063 5.7113 5.64598 11.6739 6.56633 7.10439 8.96616 8.44406 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 4.65521 7.4369 6.15714 5.4148 8.70133 9.73086 6.56633 7.10439 6.14542 5.11416 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 4.65521 7.4369 6.15714 5.7113 5.64598 10.9476 6.56633 7.10439 6.14542 8.44406 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 6.21982 6.72869 4.00608 10.2879 8.19682 9.85905 4.85247 7.03226 7.46095 6.45686 numMergedOcc 0
17 mol 76 unq 1 iso 0 dist 8.19682 9.85905 4.00608 10.2879 6.21982 6.72869 6.45686 7.03226 7.46095 4.85247 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 8.79571 7.21868 5.67107 5.49782 5.42582 7.93372 4.57832 8.73604 9.0176 5.29786 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 8.79571 7.21868 5.67107 8.80819 8.6355 11.988 4.57832 8.73604 9.0176 5.71679 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 5.42582 7.93372 5.67107 5.49782 8.79571 7.21868 5.29786 8.73604 9.0176 4.57832 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 5.42582 7.93372 5.67107 5.00817 8.6355 11.988 5.29786 8.73604 9.0176 5.71679 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 8.94837 9.00918 5.58312 7.93571 7.77454 11.0651 14.2198 6.93279 7.83568 11.147 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 5.67306 9.54444 11.7578 10.1386 9.40594 5.92302 13.1138 numMergedOcc 0
24 mol 141 unq 1 iso 0 dist 6.93652 8.07097 4.22522 5.67306 9.54444 11.7578 7.42649 5.26989 5.29898 8.39549 numMergedOcc 0
25 mol 155 unq 0 iso 0 dist 9.14392 8.97626 12.0485 5.71071 7.16254 12.9034 5.50031 13.3276 9.16358 11.0769 numMergedOcc 0
26 mol 155 unq 1 iso 0 dist 9.14392 8.97626 12.0485 5.71071 7.16254 12.9034 6.89781 9.0529 9.24038 10.4923 numMergedOcc 0
27 mol 155 unq 2 iso 0 dist 7.51198 8.97626 4.48516 5.71071 9.86313 12.9034 5.50031 9.80845 9.16358 11.0769 numMergedOcc 0
28 mol 155 unq 3 iso 0 dist 7.51198 8.97626 4.48516 5.71071 9.86313 12.9034 6.89781 7.55196 9.24038 10.4923 numMergedOcc 0
29 mol 184 unq 0 iso 0 dist 9.52936 5.96423 11.6883 5.43299 9.15417 11.2903 8.08596 12.1114 7.58375 11.5807 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 6.65984 8.79428 10.9705 4.70378 6.67585 13.2325 7.38836 13.7546 9.25617 11.1545 numMergedOcc 0
31 mol 224 unq 1 iso 0 dist 6.65984 8.79428 10.9705 4.70378 6.67585 13.2325 12.4832 17.8706 9.05276 16.8238 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 8.17891 5.23634 4.09934 5.22356 6.95902 6.91318 6.35849 12.2922 9.18728 10.204 numMergedOcc 0
33 mol 227 unq 1 iso 0 dist 8.17891 5.23634 4.09934 5.22356 6.95902 6.91318 10.9607 7.57454 8.91971 9.72615 numMergedOcc 0
34 mol 227 unq 2 iso 0 dist 6.95902 6.91318 4.09934 5.22356 8.17891 5.23634 10.204 12.2922 9.18728 6.35849 numMergedOcc 0
35 mol 227 unq 3 iso 0 dist 6.95902 6.91318 4.09934 5.22356 8.17891 5.23634 9.72615 7.57454 8.91971 10.9607 numMergedOcc 0
36 mol 234 unq 0 iso 0 dist 7.85175 7.81215 10.5304 5.88703 6.25105 11.6391 10.0059 10.0212 7.77911 13.8349 numMergedOcc 0
37 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 16.4493 9.58736 11.0129 6.82855 7.31773 8.97952 15.6327 numMergedOcc 0
38 mol 235 unq 1 iso 0 dist 6.98084 8.19317 4.47008 14.4362 9.43058 12.9086 6.82855 7.31773 8.97952 10.632 numMergedOcc 0
39 mol 235 unq 2 iso 0 dist 6.98084 8.19317 4.47008 11.3519 8.75735 11.8988 6.82855 7.31773 8.97952 6.01041 numMergedOcc 0
40 mol 235 unq 3 iso 0 dist 6.98084 8.19317 4.47008 7.218 7.32211 5.1823 6.82855 7.31773 8.97952 6.46722 numMergedOcc 0
41 mol 235 unq 4 iso 0 dist 7.32211 5.1823 4.47008 15.4 9.58736 11.0129 6.46722 7.31773 8.97952 15.6327 numMergedOcc 0
42 mol 235 unq 5 iso 0 dist 7.32211 5.1823 4.47008 14.4107 9.43058 12.9086 6.46722 7.31773 8.97952 10.632 numMergedOcc 0
43 mol 235 unq 6 iso 0 dist 7.32211 5.1823 4.47008 11.3789 8.75735 11.8988 6.46722 7.31773 8.97952 6.01041 numMergedOcc 0
44 mol 235 unq 7 iso 0 dist 7.32211 5.1823 4.47008 7.218 6.98084 8.19317 6.46722 7.31773 8.97952 6.82855 numMergedOcc 0
