0 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 6.93532 5.30082 10.4366 6.2983 7.03948 5.47769 11.7521 5.01101 6.42835 11.0298 5.94982 9.87867 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.05803 6.31718 6.92781 6.93532 5.30082 10.4366 6.2983 7.03948 5.47769 11.7521 4.65873 6.57331 8.43054 10.0132 4.68733 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 6.31718 5.05803 6.92781 6.93532 10.4366 5.30082 6.2983 5.47769 7.03948 11.7521 4.65873 8.43054 6.57331 10.0132 4.68733 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 7.21955 7.12541 7.09066 6.75888 6.40841 10.335 8.71468 5.61579 8.69057 5.38524 10.4354 11.0945 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.32874 9.55426 5.90225 7.21955 7.12541 5.74871 6.75888 6.40841 6.31428 8.71468 5.61579 8.69057 13.1897 10.4354 11.0945 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 4.67832 9.64665 11.4118 10.4309 9.87158 9.22598 13.3281 9.01564 8.59939 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 4.67832 9.64665 9.66798 10.4309 9.87158 9.22598 8.96727 9.01564 8.59939 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 6.47744 8.89374 8.63333 9.11258 9.87158 8.96727 13.3281 9.01564 14.6599 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 6.47744 8.89374 8.63333 9.11258 5.86526 8.01308 11.5155 7.11065 9.47022 numMergedOcc 0
9 mol 58 unq 6 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 6.47744 8.89374 11.5023 9.11258 9.87158 8.96727 9.22598 9.01564 14.6599 numMergedOcc 0
10 mol 58 unq 7 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 6.47744 8.89374 11.5023 9.11258 5.86526 8.01308 9.55996 7.11065 9.47022 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 9.0131 7.321 13.3133 13.1462 5.69391 9.55118 13.6019 7.58875 6.74416 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 9.0131 7.321 13.3133 13.1462 13.4212 9.10345 18.0706 14.0067 5.63793 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 9.24757 5.11416 6.56633 7.41074 8.70133 4.65521 7.10439 5.70116 9.73086 7.4369 6.14542 6.15714 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 9.24757 5.11416 15.3808 7.41074 8.70133 15.9587 7.10439 5.70116 9.73086 12.8207 6.14542 6.15714 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 7.41074 4.65521 8.70133 7.10439 6.20232 8.68662 12.2276 8.96616 6.10063 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 7.41074 4.65521 8.70133 7.10439 5.70116 7.4369 9.73086 6.14542 6.15714 numMergedOcc 0
17 mol 73 unq 4 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 7.41074 4.65521 15.9587 7.10439 6.20232 8.68662 13.8931 8.96616 6.10063 numMergedOcc 0
18 mol 73 unq 5 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 7.41074 4.65521 15.9587 7.10439 5.70116 7.4369 12.8207 6.14542 6.15714 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 7.4729 6.82344 8.95922 6.95572 9.50382 7.56363 6.99832 5.81965 9.70512 5.39745 4.46885 8.3773 11.1432 9.92987 7.94489 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 7.4729 6.82344 8.95922 7.38677 12.7565 5.91004 6.99832 5.81965 9.70512 10.8154 4.46885 8.3773 11.1432 11.4716 7.94489 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 10.1589 8.72704 10.5193 9.44658 5.9143 7.82475 11.9928 13.9449 12.5061 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 10.1589 8.72704 10.5193 9.44658 5.47563 5.35782 9.94341 13.2383 12.1093 numMergedOcc 0
23 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 10.1589 8.72704 10.5193 18.5425 5.9143 7.82475 11.9928 10.8812 12.5061 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 10.1589 8.72704 10.5193 18.5425 5.47563 5.35782 9.94341 11.4348 12.1093 numMergedOcc 0
25 mol 100 unq 4 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 10.1589 8.72704 15.8984 9.44658 5.9143 7.82475 10.694 13.9449 12.5061 numMergedOcc 0
26 mol 100 unq 5 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 10.1589 8.72704 15.8984 9.44658 5.47563 5.35782 9.82522 13.2383 12.1093 numMergedOcc 0
27 mol 100 unq 6 iso 0 dist 7.47343 6.56369 12.6515 8.76378 15.5385 4.97045 10.1589 8.72704 15.8984 18.5425 5.9143 7.82475 10.694 10.8812 12.5061 numMergedOcc 0
28 mol 100 unq 7 iso 0 dist 7.47343 6.56369 12.6515 8.76378 15.5385 4.97045 10.1589 8.72704 15.8984 18.5425 5.47563 5.35782 9.82522 11.4348 12.1093 numMergedOcc 0
29 mol 100 unq 8 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 10.1589 8.72704 14.8726 9.44658 5.9143 7.82475 14.966 13.9449 12.5061 numMergedOcc 0
30 mol 100 unq 9 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 10.1589 8.72704 14.8726 9.44658 5.47563 5.35782 13.4844 13.2383 12.1093 numMergedOcc 0
31 mol 100 unq 10 iso 0 dist 7.47343 9.30209 13.887 8.76378 15.5385 10.7791 10.1589 8.72704 14.8726 18.5425 5.9143 7.82475 14.966 10.8812 12.5061 numMergedOcc 0
32 mol 100 unq 11 iso 0 dist 7.47343 9.30209 13.887 8.76378 15.5385 10.7791 10.1589 8.72704 14.8726 18.5425 5.47563 5.35782 13.4844 11.4348 12.1093 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 5.41704 8.79571 5.42582 8.73604 8.06642 7.21868 7.93372 9.0176 5.67107 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 5.41704 8.79571 8.6355 8.73604 8.06642 7.21868 11.988 9.0176 5.67107 numMergedOcc 0
35 mol 134 unq 2 iso 0 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 5.41704 5.42582 8.79571 8.73604 6.95573 9.33924 13.9752 12.2587 6.0991 numMergedOcc 0
36 mol 134 unq 3 iso 0 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 5.41704 5.42582 8.79571 8.73604 8.06642 7.93372 7.21868 9.0176 5.67107 numMergedOcc 0
37 mol 134 unq 4 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 5.41704 5.42582 8.6355 8.73604 6.95573 9.33924 9.55584 12.2587 6.0991 numMergedOcc 0
38 mol 134 unq 5 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 5.41704 5.42582 8.6355 8.73604 8.06642 7.93372 11.988 9.0176 5.67107 numMergedOcc 0
39 mol 134 unq 6 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 6.17103 8.79571 5.42582 8.73604 4.00092 7.21868 7.93372 9.0176 5.67107 numMergedOcc 0
40 mol 134 unq 7 iso 0 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 6.17103 5.42582 8.79571 8.73604 10.2026 9.33924 13.9752 12.2587 6.0991 numMergedOcc 0
41 mol 134 unq 8 iso 0 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 6.17103 5.42582 8.79571 8.73604 4.00092 7.93372 7.21868 9.0176 5.67107 numMergedOcc 0
42 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 5.71262 8.36822 12.1647 7.33225 9.53265 9.78634 12.8149 15.7529 10.3099 numMergedOcc 0
43 mol 192 unq 1 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 5.71262 8.36822 12.1647 7.33225 6.35474 5.64942 6.97962 13.3256 10.1087 numMergedOcc 0
44 mol 192 unq 2 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 5.71262 8.36822 12.1647 7.33225 5.25965 7.43054 6.79229 13.7172 10.0566 numMergedOcc 0
45 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 7.43071 6.35849 6.00424 6.43754 8.17891 12.4085 12.2922 5.0317 5.23634 10.7855 9.18728 4.09934 numMergedOcc 0
46 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 5.41321 10.9607 10.7656 6.43754 8.17891 12.4085 7.57454 5.0317 5.23634 10.7855 8.91971 4.09934 numMergedOcc 0
47 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.43071 6.35849 10.204 6.43754 8.17891 6.95902 12.2922 5.0317 5.23634 6.91318 9.18728 4.09934 numMergedOcc 0
48 mol 227 unq 3 iso 0 dist 7.22101 8.65997 5.22356 5.41321 10.9607 9.72615 6.43754 8.17891 6.95902 7.57454 5.0317 5.23634 6.91318 8.91971 4.09934 numMergedOcc 0
49 mol 227 unq 4 iso 0 dist 7.22101 7.56888 10.8658 7.43071 6.35849 9.76735 6.43754 8.17891 11.004 12.2922 5.0317 5.23634 11.2661 9.18728 4.09934 numMergedOcc 0
50 mol 227 unq 5 iso 0 dist 7.22101 7.56888 10.8658 5.41321 10.9607 5.10635 6.43754 8.17891 11.004 7.57454 5.0317 5.23634 11.2661 8.91971 4.09934 numMergedOcc 0
51 mol 227 unq 6 iso 0 dist 7.22101 7.55216 12.4689 7.43071 6.35849 9.32448 6.43754 8.17891 12.8864 12.2922 5.0317 5.23634 12.3663 9.18728 4.09934 numMergedOcc 0
52 mol 227 unq 7 iso 0 dist 7.22101 7.55216 12.4689 5.41321 10.9607 6.48027 6.43754 8.17891 12.8864 7.57454 5.0317 5.23634 12.3663 8.91971 4.09934 numMergedOcc 0
53 mol 227 unq 8 iso 0 dist 8.65997 9.34734 7.60506 7.43071 10.204 6.00424 14.6185 9.62609 17.0949 19.0662 5.0317 6.91318 10.7855 9.18728 11.5454 numMergedOcc 0
54 mol 227 unq 9 iso 0 dist 8.65997 9.34734 7.60506 7.43071 10.204 6.00424 6.43754 6.95902 12.4085 12.2922 5.0317 6.91318 10.7855 9.18728 4.09934 numMergedOcc 0
55 mol 227 unq 10 iso 0 dist 8.65997 9.34734 7.60506 5.41321 9.72615 10.7656 14.6185 9.62609 17.0949 14.0608 5.0317 6.91318 10.7855 8.91971 11.5454 numMergedOcc 0
56 mol 227 unq 11 iso 0 dist 8.65997 9.34734 7.60506 5.41321 9.72615 10.7656 6.43754 6.95902 12.4085 7.57454 5.0317 6.91318 10.7855 8.91971 4.09934 numMergedOcc 0
57 mol 227 unq 12 iso 0 dist 8.65997 7.22101 5.22356 7.43071 10.204 6.35849 14.6185 9.62609 13.4493 19.0662 5.0317 6.91318 5.23634 9.18728 11.5454 numMergedOcc 0
58 mol 227 unq 13 iso 0 dist 8.65997 7.22101 5.22356 7.43071 10.204 6.35849 6.43754 6.95902 8.17891 12.2922 5.0317 6.91318 5.23634 9.18728 4.09934 numMergedOcc 0
59 mol 227 unq 14 iso 0 dist 8.65997 7.22101 5.22356 5.41321 9.72615 10.9607 14.6185 9.62609 13.4493 14.0608 5.0317 6.91318 5.23634 8.91971 11.5454 numMergedOcc 0
60 mol 227 unq 15 iso 0 dist 8.65997 7.22101 5.22356 5.41321 9.72615 10.9607 6.43754 6.95902 8.17891 7.57454 5.0317 6.91318 5.23634 8.91971 4.09934 numMergedOcc 0
61 mol 227 unq 16 iso 0 dist 8.65997 7.56888 9.70012 7.43071 10.204 9.76735 14.6185 9.62609 16.5207 19.0662 5.0317 6.91318 11.2661 9.18728 11.5454 numMergedOcc 0
62 mol 227 unq 17 iso 0 dist 8.65997 7.56888 9.70012 7.43071 10.204 9.76735 6.43754 6.95902 11.004 12.2922 5.0317 6.91318 11.2661 9.18728 4.09934 numMergedOcc 0
63 mol 227 unq 18 iso 0 dist 8.65997 7.56888 9.70012 5.41321 9.72615 5.10635 14.6185 9.62609 16.5207 14.0608 5.0317 6.91318 11.2661 8.91971 11.5454 numMergedOcc 0
64 mol 227 unq 19 iso 0 dist 8.65997 7.56888 9.70012 5.41321 9.72615 5.10635 6.43754 6.95902 11.004 7.57454 5.0317 6.91318 11.2661 8.91971 4.09934 numMergedOcc 0
65 mol 227 unq 20 iso 0 dist 8.65997 7.55216 12.9332 7.43071 10.204 9.32448 14.6185 9.62609 19.8174 19.0662 5.0317 6.91318 12.3663 9.18728 11.5454 numMergedOcc 0
66 mol 227 unq 21 iso 0 dist 8.65997 7.55216 12.9332 7.43071 10.204 9.32448 6.43754 6.95902 12.8864 12.2922 5.0317 6.91318 12.3663 9.18728 4.09934 numMergedOcc 0
67 mol 227 unq 22 iso 0 dist 8.65997 7.55216 12.9332 5.41321 9.72615 6.48027 14.6185 9.62609 19.8174 14.0608 5.0317 6.91318 12.3663 8.91971 11.5454 numMergedOcc 0
68 mol 227 unq 23 iso 0 dist 8.65997 7.55216 12.9332 5.41321 9.72615 6.48027 6.43754 6.95902 12.8864 7.57454 5.0317 6.91318 12.3663 8.91971 4.09934 numMergedOcc 0
69 mol 259 unq 0 iso 0 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 11.6195 7.48005 10.9591 8.71497 7.20604 9.63573 12.8229 11.547 9.98303 numMergedOcc 0
70 mol 259 unq 1 iso 0 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 11.6195 7.48005 10.9591 8.71497 8.8603 7.66153 9.07743 14.6679 14.0829 numMergedOcc 0
