0 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 6.14147 10.5699 6.55811 11.0167 14.0736 5.43306 7.36018 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.05346 7.32257 8.88528 6.14147 10.5699 6.55811 10.0547 14.3158 6.17866 8.48677 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 7.05346 7.32257 8.88528 10.5747 12.6235 8.64915 11.0167 14.0736 5.43306 8.17347 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 7.05346 7.32257 8.88528 10.5747 12.6235 8.64915 15.8978 18.7072 11.3401 7.83133 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 7.9944 6.55811 4.58685 5.06358 7.032 8.64915 7.36018 5.83039 5.43306 8.17347 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 7.9944 6.55811 4.58685 5.06358 7.032 8.64915 10.2602 9.193 11.3401 7.83133 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 7.9944 7.36018 5.83039 5.06358 7.032 8.17347 6.55811 4.58685 5.43306 8.64915 numMergedOcc 0
7 mol 9 unq 7 iso 0 dist 7.9944 7.36018 5.83039 5.06358 7.032 8.17347 10.2602 9.193 6.8386 7.83133 numMergedOcc 0
8 mol 9 unq 8 iso 0 dist 7.032 8.64915 4.58685 5.06358 7.9944 6.55811 8.17347 5.83039 5.43306 7.36018 numMergedOcc 0
9 mol 9 unq 9 iso 0 dist 7.032 8.64915 4.58685 5.06358 7.9944 6.55811 11.3467 9.06304 6.17866 8.48677 numMergedOcc 0
10 mol 9 unq 10 iso 0 dist 7.032 8.17347 5.83039 5.06358 7.9944 7.36018 8.64915 4.58685 5.43306 6.55811 numMergedOcc 0
11 mol 9 unq 11 iso 0 dist 7.032 8.17347 5.83039 5.06358 7.9944 7.36018 11.3467 9.06304 4.41171 8.48677 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 11.4989 14.156 6.73939 18.2647 21.578 15.0804 8.70827 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 6.72502 8.60554 6.99746 14.6259 11.2485 8.4051 17.6854 16.78 14.1082 8.23446 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 6.72502 8.60554 6.99746 14.6259 11.2485 8.4051 9.44691 7.05541 9.62033 8.75662 numMergedOcc 0
15 mol 24 unq 3 iso 0 dist 6.72502 8.60554 6.99746 10.0952 10.7114 7.29868 13.4393 9.14963 6.16544 9.01567 numMergedOcc 0
16 mol 24 unq 4 iso 0 dist 6.72502 8.60554 6.99746 10.0952 10.7114 7.29868 12.9284 10.025 10.2653 7.33768 numMergedOcc 0
17 mol 24 unq 5 iso 0 dist 6.72502 9.44691 7.05541 14.6259 11.2485 8.75662 8.60554 6.99746 9.62033 8.4051 numMergedOcc 0
18 mol 24 unq 6 iso 0 dist 6.72502 9.44691 7.05541 14.6259 11.2485 8.75662 17.6854 16.78 11.342 8.23446 numMergedOcc 0
19 mol 24 unq 7 iso 0 dist 9.24958 9.12854 9.75636 12.3067 4.93188 8.70827 18.673 10.0715 15.0804 6.73939 numMergedOcc 0
20 mol 25 unq 0 iso 0 dist 5.81959 8.6653 6.61233 10.6808 6.90155 7.92503 16.0183 11.0508 12.7398 6.16347 numMergedOcc 0
21 mol 25 unq 1 iso 0 dist 6.90155 6.16347 11.0508 10.9391 17.3821 7.45383 13.8469 18.98 12.6805 9.01548 numMergedOcc 0
22 mol 25 unq 2 iso 0 dist 6.6492 7.45383 11.7817 10.9391 16.357 6.16347 16.8925 21.0234 12.7398 7.92503 numMergedOcc 0
23 mol 65 unq 0 iso 0 dist 9.14931 6.72639 9.35965 5.48814 13.4288 6.76508 9.34791 10.7772 5.56801 8.22785 numMergedOcc 0
24 mol 65 unq 1 iso 0 dist 9.14931 9.34791 10.7772 5.48814 13.4288 8.22785 6.72639 9.35965 5.56801 6.76508 numMergedOcc 0
25 mol 65 unq 2 iso 0 dist 5.69971 7.90294 6.00418 14.4691 12.0267 9.34791 11.5413 7.18126 5.56801 6.72639 numMergedOcc 0
26 mol 65 unq 3 iso 0 dist 5.69971 7.90294 6.00418 10.2941 8.37515 8.22785 11.5413 7.18126 5.56801 6.76508 numMergedOcc 0
27 mol 65 unq 4 iso 0 dist 8.37515 6.76508 7.18126 5.48814 12.0267 6.72639 8.22785 6.00418 5.56801 9.34791 numMergedOcc 0
28 mol 65 unq 5 iso 0 dist 8.37515 8.22785 6.00418 5.48814 12.0267 9.34791 6.76508 7.18126 5.56801 6.72639 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 4.85907 8.56342 6.52773 12.7677 13.3975 12.3703 9.23858 numMergedOcc 0
30 mol 148 unq 0 iso 0 dist 9.74542 9.91993 7.23332 5.99954 11.214 9.99156 6.22055 7.89336 4.32771 8.18085 numMergedOcc 0
31 mol 148 unq 1 iso 0 dist 9.74542 6.22055 7.89336 5.99954 11.214 8.18085 9.91993 7.23332 4.32771 9.99156 numMergedOcc 0
32 mol 150 unq 0 iso 0 dist 9.6606 9.96691 7.35366 5.93095 11.0682 9.8656 6.14675 7.86976 4.39943 7.94889 numMergedOcc 0
33 mol 150 unq 1 iso 0 dist 9.6606 6.14675 7.86976 5.93095 11.0682 7.94889 9.96691 7.35366 4.39943 9.8656 numMergedOcc 0
34 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 7.31409 5.10618 8.24693 8.1344 5.90358 3.98338 6.71356 numMergedOcc 0
35 mol 171 unq 1 iso 0 dist 7.71426 8.1344 5.90358 7.31409 5.10618 6.71356 5.93786 6.29877 3.98338 8.24693 numMergedOcc 0
36 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 6.71356 5.90358 3.98338 8.1344 numMergedOcc 0
37 mol 171 unq 3 iso 0 dist 5.10618 6.71356 5.90358 7.31409 7.71426 8.1344 8.24693 6.29877 3.98338 5.93786 numMergedOcc 0
38 mol 195 unq 0 iso 0 dist 7.62942 9.26504 6.0634 10.7531 6.60567 7.36683 14.0524 6.74112 9.90317 6.95086 numMergedOcc 0
39 mol 206 unq 0 iso 0 dist 8.70977 7.75885 10.7023 5.63422 12.3357 6.16414 11.4872 13.8756 6.46458 7.33701 numMergedOcc 0
40 mol 206 unq 1 iso 0 dist 8.70977 7.75885 10.7023 5.63422 12.3357 6.16414 13.2041 16.9443 9.9892 8.0871 numMergedOcc 0
41 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 8.31875 11.0084 6.21292 13.9626 17.2412 10.2834 6.95126 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 7.32982 9.24557 4.77308 10.0191 6.66971 7.57812 12.9364 10.2777 6.25098 8.69104 numMergedOcc 0
