0 mol 7 unq 0 iso 0 dist 6.36911 9.87885 7.92429 13.2247 9.36807 6.1206 5.03847 9.97624 11.2901 13.8829 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.36807 6.1206 7.92429 13.2247 6.36911 9.87885 13.8829 9.97624 11.2901 5.03847 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.36807 7.67927 11.2233 13.2247 6.36911 14.1836 13.8829 9.97624 16.0449 5.03847 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 6.99408 5.94756 4.51883 6.11102 9.3403 10.7728 8.26635 7.21995 10.1089 5.05051 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 6.99408 5.94756 4.51883 6.11102 9.3403 10.7728 13.4503 9.62637 13.3858 10.6148 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 11.0466 7.58407 18.0198 7.12541 8.71468 10.4354 11.387 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 5.90225 6.31428 13.1897 7.12541 8.71468 10.4354 5.74871 numMergedOcc 0
7 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
8 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
9 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
10 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
11 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
12 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
13 mol 64 unq 0 iso 0 dist 8.68586 9.86334 8.84224 10.6748 9.54144 16.9931 6.21578 9.32552 12.5444 11.4485 numMergedOcc 0
14 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
15 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
16 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
17 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
18 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
19 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
20 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
21 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
22 mol 92 unq 0 iso 0 dist 5.81965 8.3773 7.94489 5.02055 7.06013 12.4353 8.55834 7.1539 13.673 8.51055 numMergedOcc 0
23 mol 92 unq 1 iso 0 dist 5.81965 8.3773 7.94489 5.02055 7.06013 12.4353 9.50382 5.39745 9.92987 11.3858 numMergedOcc 0
24 mol 92 unq 2 iso 0 dist 5.81965 8.3773 7.94489 8.95922 9.70512 11.1432 8.55834 7.1539 13.673 7.76866 numMergedOcc 0
25 mol 92 unq 3 iso 0 dist 5.81965 8.3773 7.94489 8.95922 9.70512 11.1432 9.50382 5.39745 9.92987 7.56363 numMergedOcc 0
26 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
27 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
28 mol 134 unq 2 iso 0 dist 5.42582 9.33924 6.0991 5.49782 8.79571 13.9752 5.29786 8.73604 12.2587 4.57832 numMergedOcc 0
29 mol 134 unq 3 iso 0 dist 5.42582 9.33924 6.0991 5.00817 8.6355 9.55584 5.29786 8.73604 12.2587 5.71679 numMergedOcc 0
30 mol 134 unq 4 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
31 mol 134 unq 5 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
32 mol 134 unq 6 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
33 mol 134 unq 7 iso 0 dist 8.94837 7.99477 9.61537 7.93571 7.77454 12.782 14.2198 6.93279 12.0743 11.147 numMergedOcc 0
34 mol 141 unq 0 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
35 mol 141 unq 1 iso 0 dist 6.93652 8.07097 4.22522 5.67306 9.54444 11.7578 10.6531 7.76442 10.5285 8.43221 numMergedOcc 0
36 mol 155 unq 0 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
37 mol 155 unq 1 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
38 mol 155 unq 2 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
39 mol 227 unq 0 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
40 mol 227 unq 1 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
41 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
42 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
43 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
44 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
45 mol 235 unq 4 iso 0 dist 6.98084 6.29377 7.34601 16.4493 9.58736 15.1974 6.82855 7.31773 10.1845 15.6327 numMergedOcc 0
46 mol 235 unq 5 iso 0 dist 6.98084 6.29377 7.34601 14.4362 9.43058 16.6119 6.82855 7.31773 10.1845 10.632 numMergedOcc 0
47 mol 235 unq 6 iso 0 dist 6.98084 6.29377 7.34601 11.3519 8.75735 14.6441 6.82855 7.31773 10.1845 6.01041 numMergedOcc 0
48 mol 235 unq 7 iso 0 dist 6.98084 6.29377 7.34601 7.218 7.32211 5.70635 6.82855 7.31773 10.1845 6.46722 numMergedOcc 0
49 mol 235 unq 8 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
50 mol 235 unq 9 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
51 mol 235 unq 10 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
52 mol 235 unq 11 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
53 mol 235 unq 12 iso 0 dist 7.32211 5.70635 7.34601 15.4 9.58736 15.1974 6.46722 7.31773 10.1845 15.6327 numMergedOcc 0
54 mol 235 unq 13 iso 0 dist 7.32211 5.70635 7.34601 14.4107 9.43058 16.6119 6.46722 7.31773 10.1845 10.632 numMergedOcc 0
55 mol 235 unq 14 iso 0 dist 7.32211 5.70635 7.34601 11.3789 8.75735 14.6441 6.46722 7.31773 10.1845 6.01041 numMergedOcc 0
56 mol 235 unq 15 iso 0 dist 7.32211 5.70635 7.34601 7.218 6.98084 6.29377 6.46722 7.31773 10.1845 6.82855 numMergedOcc 0
57 mol 259 unq 0 iso 0 dist 7.48005 9.63573 9.98303 12.5353 8.37865 17.0253 8.81835 8.71497 11.547 8.75685 numMergedOcc 0
58 mol 259 unq 1 iso 0 dist 7.48005 7.66153 14.0829 12.5353 8.37865 20.1127 8.81835 8.71497 14.6679 8.75685 numMergedOcc 0
