0 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 6.864 7.07775 5.80928 5.5841 9.80108 9.58539 8.58657 10.3056 9.32205 13.8916 13.0631 8.19695 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 7.20519 6.864 7.07775 4.54938 7.34551 5.80928 5.5841 9.80108 8.58657 9.58539 10.3056 9.32205 13.0631 13.8916 8.19695 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 6.864 7.07775 5.80928 5.5841 9.80108 9.58539 8.58657 7.75618 4.96411 9.74255 7.08342 7.02548 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 7.20519 6.864 7.07775 4.54938 7.34551 5.80928 5.5841 9.80108 8.58657 9.58539 7.75618 4.96411 7.08342 9.74255 7.02548 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 8.4674 4.54938 7.67038 7.82074 10.3915 5.03957 5.14627 6.20943 7.82528 10.2708 14.129 10.943 15.119 14.6138 9.85134 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 8.4674 7.82074 10.3915 4.54938 7.67038 5.03957 5.14627 6.20943 10.2708 7.82528 14.129 10.943 14.6138 15.119 9.85134 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 8.4674 4.54938 7.67038 7.82074 10.3915 5.03957 5.14627 6.20943 7.82528 10.2708 6.41575 4.64838 4.97119 6.01808 5.82366 numMergedOcc 0
7 mol 19 unq 3 iso 1 dist 8.4674 7.82074 10.3915 4.54938 7.67038 5.03957 5.14627 6.20943 10.2708 7.82528 6.41575 4.64838 6.01808 4.97119 5.82366 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 5.14627 7.82528 6.20943 10.2708 14.129 15.119 10.943 14.6138 9.85134 numMergedOcc 0
9 mol 19 unq 4 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 5.14627 7.82528 10.2708 6.20943 14.129 15.119 14.6138 10.943 9.85134 numMergedOcc 0
10 mol 19 unq 5 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 5.14627 7.82528 6.20943 10.2708 6.41575 4.97119 4.64838 6.01808 5.82366 numMergedOcc 0
11 mol 19 unq 5 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 5.14627 7.82528 10.2708 6.20943 6.41575 4.97119 6.01808 4.64838 5.82366 numMergedOcc 0
12 mol 19 unq 6 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 5.5841 8.58657 9.80108 9.58539 10.3056 13.0631 9.32205 13.8916 8.19695 numMergedOcc 0
13 mol 19 unq 6 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 5.5841 8.58657 9.58539 9.80108 10.3056 13.0631 13.8916 9.32205 8.19695 numMergedOcc 0
14 mol 19 unq 7 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 5.5841 8.58657 9.80108 9.58539 7.75618 7.08342 4.96411 9.74255 7.02548 numMergedOcc 0
15 mol 19 unq 7 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 5.5841 8.58657 9.58539 9.80108 7.75618 7.08342 9.74255 4.96411 7.02548 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 9.55426 5.90225 9.7274 6.75888 6.40841 10.335 6.31428 7.21955 7.12541 7.09066 5.74871 8.71468 numMergedOcc 0
17 mol 58 unq 0 iso 1 dist 7.32874 9.55426 5.90225 6.81627 5.47421 9.7274 6.75888 6.40841 6.31428 10.335 7.21955 7.12541 5.74871 7.09066 8.71468 numMergedOcc 0
18 mol 58 unq 1 iso 0 dist 6.86465 6.62496 5.30792 6.35756 5.35073 4.81926 6.47744 8.63333 11.5023 8.89374 8.80614 10.2049 9.95364 5.49591 9.11258 numMergedOcc 0
19 mol 58 unq 1 iso 1 dist 6.86465 6.35756 5.35073 6.62496 5.30792 4.81926 6.47744 8.63333 8.89374 11.5023 8.80614 10.2049 5.49591 9.95364 9.11258 numMergedOcc 0
20 mol 58 unq 2 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 6.47744 8.89374 8.63333 11.5023 8.80614 5.49591 10.2049 9.95364 9.11258 numMergedOcc 0
21 mol 58 unq 2 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 6.47744 8.89374 11.5023 8.63333 8.80614 5.49591 9.95364 10.2049 9.11258 numMergedOcc 0
22 mol 58 unq 3 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 13.1021 9.73139 15.9764 10.9482 18.8985 12.2123 21.5025 16.7404 9.11258 numMergedOcc 0
23 mol 58 unq 3 iso 1 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 13.1021 9.73139 10.9482 15.9764 18.8985 12.2123 16.7404 21.5025 9.11258 numMergedOcc 0
24 mol 58 unq 4 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 6.75888 6.31428 10.335 6.40841 7.21955 5.74871 7.09066 7.12541 8.71468 numMergedOcc 0
25 mol 58 unq 4 iso 1 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 6.75888 6.31428 6.40841 10.335 7.21955 5.74871 7.12541 7.09066 8.71468 numMergedOcc 0
26 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 8.25513 8.19458 6.40295 5.33688 6.71911 12.8699 11.6249 6.73347 9.64444 4.36133 6.66692 9.2902 numMergedOcc 0
27 mol 59 unq 0 iso 1 dist 7.71095 8.25513 8.19458 8.84665 12.5396 6.40295 5.33688 6.71911 11.6249 12.8699 6.73347 9.64444 6.66692 4.36133 9.2902 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 7.41074 8.70133 4.65521 15.9587 9.24757 5.11416 6.56633 15.3808 7.10439 numMergedOcc 0
29 mol 73 unq 0 iso 1 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 7.41074 8.70133 15.9587 4.65521 9.24757 5.11416 15.3808 6.56633 7.10439 numMergedOcc 0
30 mol 73 unq 1 iso 0 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 7.41074 4.65521 8.70133 15.9587 9.24757 6.56633 5.11416 15.3808 7.10439 numMergedOcc 0
31 mol 73 unq 1 iso 1 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 7.41074 4.65521 15.9587 8.70133 9.24757 6.56633 15.3808 5.11416 7.10439 numMergedOcc 0
32 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 10.1589 8.72704 10.5193 15.8984 9.5074 10.6245 6.71012 13.0596 6.0652 numMergedOcc 0
33 mol 100 unq 0 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 10.1589 8.72704 15.8984 10.5193 9.5074 10.6245 13.0596 6.71012 6.0652 numMergedOcc 0
34 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 10.1589 8.72704 10.5193 14.8726 9.5074 10.6245 6.71012 9.97598 6.0652 numMergedOcc 0
35 mol 100 unq 1 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 10.1589 8.72704 14.8726 10.5193 9.5074 10.6245 9.97598 6.71012 6.0652 numMergedOcc 0
36 mol 100 unq 1 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 10.1589 8.72704 15.8984 14.8726 9.5074 10.6245 13.0596 9.97598 6.0652 numMergedOcc 0
37 mol 100 unq 1 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 10.1589 8.72704 14.8726 15.8984 9.5074 10.6245 9.97598 13.0596 6.0652 numMergedOcc 0
38 mol 115 unq 0 iso 0 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 10.9739 7.76729 17.6696 12.9821 17.0848 14.0688 24.0778 16.1804 7.70313 numMergedOcc 0
39 mol 115 unq 0 iso 1 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 10.9739 7.76729 12.9821 17.6696 17.0848 14.0688 16.1804 24.0778 7.70313 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 11.7126 6.99777 11.695 13.9977 12.13 5.22052 13.2157 11.8511 5.60389 numMergedOcc 0
41 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 11.7126 6.99777 13.9977 11.695 12.13 5.22052 11.8511 13.2157 5.60389 numMergedOcc 0
42 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 6.80239 7.79672 7.81217 12.2037 7.92688 17.2931 15.1694 13.5028 5.92062 17.8146 13.262 6.51868 numMergedOcc 0
43 mol 133 unq 0 iso 1 dist 8.00618 6.80239 7.79672 6.29155 11.965 7.81217 12.2037 7.92688 15.1694 17.2931 13.5028 5.92062 13.262 17.8146 6.51868 numMergedOcc 0
44 mol 133 unq 1 iso 0 dist 8.00618 6.29155 11.965 6.80239 7.79672 7.81217 12.2037 7.92688 17.2931 15.1694 11.8433 6.61891 14.4607 13.1361 7.34698 numMergedOcc 0
45 mol 133 unq 1 iso 1 dist 8.00618 6.80239 7.79672 6.29155 11.965 7.81217 12.2037 7.92688 15.1694 17.2931 11.8433 6.61891 13.1361 14.4607 7.34698 numMergedOcc 0
46 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 5.41704 8.79571 5.42582 8.6355 6.23142 4.57832 5.29786 5.71679 8.73604 numMergedOcc 0
47 mol 134 unq 0 iso 1 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 5.41704 8.79571 8.6355 5.42582 6.23142 4.57832 5.71679 5.29786 8.73604 numMergedOcc 0
48 mol 134 unq 1 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 5.41704 5.42582 8.79571 8.6355 6.23142 5.29786 4.57832 5.71679 8.73604 numMergedOcc 0
49 mol 134 unq 1 iso 1 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 5.41704 5.42582 8.6355 8.79571 6.23142 5.29786 5.71679 4.57832 8.73604 numMergedOcc 0
50 mol 134 unq 2 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 5.41704 8.6355 8.79571 5.42582 6.23142 5.71679 4.57832 5.29786 8.73604 numMergedOcc 0
51 mol 134 unq 2 iso 1 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 5.41704 8.6355 5.42582 8.79571 6.23142 5.71679 5.29786 4.57832 8.73604 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 10.0524 7.13543 10.7636 11.8099 10.6908 5.77299 8.04639 8.85666 6.32777 numMergedOcc 0
53 mol 181 unq 0 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 10.0524 7.13543 11.8099 10.7636 10.6908 5.77299 8.85666 8.04639 6.32777 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 9.15386 9.1374 12.1628 5.98885 5.16002 8.88798 8.25067 9.6668 13.2702 10.8351 8.90963 9.34211 8.91338 9.81073 5.95304 numMergedOcc 0
55 mol 181 unq 1 iso 1 dist 9.15386 5.98885 5.16002 9.1374 12.1628 8.88798 8.25067 9.6668 10.8351 13.2702 8.90963 9.34211 9.81073 8.91338 5.95304 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 6.43754 8.17891 12.4085 6.95902 5.41321 10.9607 10.7656 9.72615 7.57454 numMergedOcc 0
57 mol 227 unq 0 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 6.43754 8.17891 6.95902 12.4085 5.41321 10.9607 9.72615 10.7656 7.57454 numMergedOcc 0
58 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 6.43754 8.17891 12.4085 11.004 5.41321 10.9607 10.7656 5.10635 7.57454 numMergedOcc 0
59 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 6.43754 8.17891 11.004 12.4085 5.41321 10.9607 5.10635 10.7656 7.57454 numMergedOcc 0
60 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 6.43754 8.17891 12.4085 12.8864 5.41321 10.9607 10.7656 6.48027 7.57454 numMergedOcc 0
61 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 6.43754 8.17891 12.8864 12.4085 5.41321 10.9607 6.48027 10.7656 7.57454 numMergedOcc 0
62 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 6.43754 8.17891 6.95902 11.004 5.41321 10.9607 9.72615 5.10635 7.57454 numMergedOcc 0
63 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 6.43754 8.17891 11.004 6.95902 5.41321 10.9607 5.10635 9.72615 7.57454 numMergedOcc 0
64 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 6.43754 8.17891 6.95902 12.8864 5.41321 10.9607 9.72615 6.48027 7.57454 numMergedOcc 0
65 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 6.43754 8.17891 12.8864 6.95902 5.41321 10.9607 6.48027 9.72615 7.57454 numMergedOcc 0
66 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 6.43754 8.17891 11.004 12.8864 5.41321 10.9607 5.10635 6.48027 7.57454 numMergedOcc 0
67 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 6.43754 8.17891 12.8864 11.004 5.41321 10.9607 6.48027 5.10635 7.57454 numMergedOcc 0
68 mol 227 unq 3 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 6.43754 6.95902 12.4085 8.17891 5.41321 9.72615 10.7656 10.9607 7.57454 numMergedOcc 0
69 mol 227 unq 3 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 6.43754 6.95902 8.17891 12.4085 5.41321 9.72615 10.9607 10.7656 7.57454 numMergedOcc 0
70 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 6.43754 6.95902 12.4085 11.004 5.41321 9.72615 10.7656 5.10635 7.57454 numMergedOcc 0
71 mol 227 unq 4 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 6.43754 6.95902 11.004 12.4085 5.41321 9.72615 5.10635 10.7656 7.57454 numMergedOcc 0
72 mol 227 unq 5 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 6.43754 6.95902 12.4085 12.8864 5.41321 9.72615 10.7656 6.48027 7.57454 numMergedOcc 0
73 mol 227 unq 5 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 6.43754 6.95902 12.8864 12.4085 5.41321 9.72615 6.48027 10.7656 7.57454 numMergedOcc 0
74 mol 227 unq 4 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 6.43754 6.95902 8.17891 11.004 5.41321 9.72615 10.9607 5.10635 7.57454 numMergedOcc 0
75 mol 227 unq 4 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 6.43754 6.95902 11.004 8.17891 5.41321 9.72615 5.10635 10.9607 7.57454 numMergedOcc 0
76 mol 227 unq 5 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 6.43754 6.95902 8.17891 12.8864 5.41321 9.72615 10.9607 6.48027 7.57454 numMergedOcc 0
77 mol 227 unq 5 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 6.43754 6.95902 12.8864 8.17891 5.41321 9.72615 6.48027 10.9607 7.57454 numMergedOcc 0
78 mol 227 unq 5 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 6.43754 6.95902 11.004 12.8864 5.41321 9.72615 5.10635 6.48027 7.57454 numMergedOcc 0
79 mol 227 unq 5 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 6.43754 6.95902 12.8864 11.004 5.41321 9.72615 6.48027 5.10635 7.57454 numMergedOcc 0
80 mol 227 unq 6 iso 0 dist 7.55216 9.34734 9.51866 7.22101 12.4689 6.99063 11.662 8.83563 14.4583 15.9414 13.0798 6.67321 10.3825 15.6713 9.28891 numMergedOcc 0
81 mol 227 unq 6 iso 1 dist 7.55216 7.22101 12.4689 9.34734 9.51866 6.99063 11.662 8.83563 15.9414 14.4583 13.0798 6.67321 15.6713 10.3825 9.28891 numMergedOcc 0
82 mol 227 unq 7 iso 0 dist 7.55216 9.34734 9.51866 8.65997 12.9332 7.60506 11.662 8.83563 14.4583 18.8667 13.0798 6.67321 10.3825 16.6985 9.28891 numMergedOcc 0
83 mol 227 unq 7 iso 1 dist 7.55216 8.65997 12.9332 9.34734 9.51866 7.60506 11.662 8.83563 18.8667 14.4583 13.0798 6.67321 16.6985 10.3825 9.28891 numMergedOcc 0
84 mol 227 unq 8 iso 0 dist 7.55216 9.34734 9.51866 7.56888 4.48529 7.43198 11.662 8.83563 14.4583 12.9801 13.0798 6.67321 10.3825 8.86483 9.28891 numMergedOcc 0
85 mol 227 unq 8 iso 1 dist 7.55216 7.56888 4.48529 9.34734 9.51866 7.43198 11.662 8.83563 12.9801 14.4583 13.0798 6.67321 8.86483 10.3825 9.28891 numMergedOcc 0
86 mol 227 unq 7 iso 0 dist 7.55216 7.22101 12.4689 8.65997 12.9332 5.22356 11.662 8.83563 15.9414 18.8667 13.0798 6.67321 15.6713 16.6985 9.28891 numMergedOcc 0
87 mol 227 unq 7 iso 1 dist 7.55216 8.65997 12.9332 7.22101 12.4689 5.22356 11.662 8.83563 18.8667 15.9414 13.0798 6.67321 16.6985 15.6713 9.28891 numMergedOcc 0
88 mol 227 unq 8 iso 0 dist 7.55216 7.22101 12.4689 7.56888 4.48529 10.8658 11.662 8.83563 15.9414 12.9801 13.0798 6.67321 15.6713 8.86483 9.28891 numMergedOcc 0
89 mol 227 unq 8 iso 1 dist 7.55216 7.56888 4.48529 7.22101 12.4689 10.8658 11.662 8.83563 12.9801 15.9414 13.0798 6.67321 8.86483 15.6713 9.28891 numMergedOcc 0
90 mol 227 unq 8 iso 0 dist 7.55216 8.65997 12.9332 7.56888 4.48529 9.70012 11.662 8.83563 18.8667 12.9801 13.0798 6.67321 16.6985 8.86483 9.28891 numMergedOcc 0
91 mol 227 unq 8 iso 1 dist 7.55216 7.56888 4.48529 8.65997 12.9332 9.70012 11.662 8.83563 12.9801 18.8667 13.0798 6.67321 8.86483 16.6985 9.28891 numMergedOcc 0
92 mol 282 unq 0 iso 0 dist 8.04483 8.76532 10.0156 6.33524 5.39891 4.66602 6.3384 6.85028 10.4802 7.32347 10.6906 7.80785 8.2662 6.6348 6.8972 numMergedOcc 0
93 mol 282 unq 0 iso 1 dist 8.04483 6.33524 5.39891 8.76532 10.0156 4.66602 6.3384 6.85028 7.32347 10.4802 10.6906 7.80785 6.6348 8.2662 6.8972 numMergedOcc 0
94 mol 282 unq 1 iso 0 dist 6.33524 8.04483 5.39891 8.76532 4.66602 10.0156 6.3384 7.32347 6.85028 10.4802 10.6906 6.6348 7.80785 8.2662 6.8972 numMergedOcc 0
95 mol 282 unq 1 iso 1 dist 6.33524 8.76532 4.66602 8.04483 5.39891 10.0156 6.3384 7.32347 10.4802 6.85028 10.6906 6.6348 8.2662 7.80785 6.8972 numMergedOcc 0
