0 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 5.5841 9.80108 9.58539 10.3056 9.32205 13.8916 8.19695 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 5.5841 9.80108 9.58539 7.75618 4.96411 9.74255 7.02548 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 7.20519 6.864 7.07775 5.5841 9.80108 8.58657 10.3056 9.32205 13.0631 8.19695 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 7.20519 6.864 7.07775 5.5841 9.80108 8.58657 7.75618 4.96411 7.08342 7.02548 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 8.4674 4.54938 7.67038 5.14627 6.20943 7.82528 14.129 10.943 15.119 9.85134 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 8.4674 4.54938 7.67038 5.14627 6.20943 7.82528 6.41575 4.64838 4.97119 5.82366 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 8.4674 7.82074 10.3915 5.14627 6.20943 10.2708 14.129 10.943 14.6138 9.85134 numMergedOcc 0
7 mol 19 unq 7 iso 0 dist 8.4674 7.82074 10.3915 5.14627 6.20943 10.2708 6.41575 4.64838 6.01808 5.82366 numMergedOcc 0
8 mol 19 unq 8 iso 0 dist 4.54938 8.4674 7.67038 5.14627 7.82528 6.20943 14.129 15.119 10.943 9.85134 numMergedOcc 0
9 mol 19 unq 9 iso 0 dist 4.54938 8.4674 7.67038 5.14627 7.82528 6.20943 6.41575 4.97119 4.64838 5.82366 numMergedOcc 0
10 mol 19 unq 10 iso 0 dist 4.54938 7.82074 5.03957 5.14627 7.82528 10.2708 14.129 15.119 14.6138 9.85134 numMergedOcc 0
11 mol 19 unq 11 iso 0 dist 4.54938 7.82074 5.03957 5.14627 7.82528 10.2708 6.41575 4.97119 6.01808 5.82366 numMergedOcc 0
12 mol 19 unq 12 iso 0 dist 4.51865 8.4674 5.80928 6.74265 8.58657 9.58539 13.287 13.0631 13.8916 8.19695 numMergedOcc 0
13 mol 19 unq 13 iso 0 dist 4.51865 8.4674 5.80928 6.74265 8.58657 9.58539 8.40416 7.08342 9.74255 7.02548 numMergedOcc 0
14 mol 19 unq 14 iso 0 dist 4.51865 6.864 7.67038 4.69858 6.20943 7.82528 13.212 10.943 15.119 9.85134 numMergedOcc 0
15 mol 19 unq 15 iso 0 dist 4.51865 6.864 7.67038 4.69858 6.20943 7.82528 6.41423 4.64838 4.97119 5.82366 numMergedOcc 0
16 mol 19 unq 16 iso 0 dist 6.864 7.20519 7.07775 5.5841 8.58657 9.80108 10.3056 13.0631 9.32205 8.19695 numMergedOcc 0
17 mol 19 unq 17 iso 0 dist 6.864 7.20519 7.07775 5.5841 8.58657 9.80108 7.75618 7.08342 4.96411 7.02548 numMergedOcc 0
18 mol 19 unq 18 iso 0 dist 6.864 4.54938 5.80928 5.5841 8.58657 9.58539 10.3056 13.0631 13.8916 8.19695 numMergedOcc 0
19 mol 19 unq 19 iso 0 dist 6.864 4.54938 5.80928 5.5841 8.58657 9.58539 7.75618 7.08342 9.74255 7.02548 numMergedOcc 0
20 mol 19 unq 20 iso 0 dist 6.864 4.51865 7.67038 4.69858 7.82528 6.20943 13.212 15.119 10.943 9.85134 numMergedOcc 0
21 mol 19 unq 21 iso 0 dist 6.864 4.51865 7.67038 4.69858 7.82528 6.20943 6.41423 4.97119 4.64838 5.82366 numMergedOcc 0
22 mol 45 unq 0 iso 0 dist 7.58835 7.2846 8.81358 6.89191 9.20119 12.1257 10.6216 10.7082 12.8618 5.55096 numMergedOcc 0
23 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 6.75888 6.40841 10.335 7.21955 7.12541 7.09066 8.71468 numMergedOcc 0
24 mol 58 unq 1 iso 0 dist 7.32874 9.55426 5.90225 6.75888 6.40841 6.31428 7.21955 7.12541 5.74871 8.71468 numMergedOcc 0
25 mol 58 unq 2 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 8.80614 10.2049 9.95364 9.11258 numMergedOcc 0
26 mol 58 unq 3 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 8.80614 10.2049 5.49591 9.11258 numMergedOcc 0
27 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 6.47744 8.89374 8.63333 8.80614 5.49591 10.2049 9.11258 numMergedOcc 0
28 mol 58 unq 5 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 8.80614 5.49591 9.95364 9.11258 numMergedOcc 0
29 mol 58 unq 6 iso 0 dist 6.64012 9.4099 6.47414 5.24906 6.46761 9.73139 9.86039 5.85698 12.2123 9.11258 numMergedOcc 0
30 mol 58 unq 7 iso 0 dist 6.64012 9.4099 6.47414 5.11205 7.58407 6.31428 12.3035 11.387 5.74871 8.71468 numMergedOcc 0
31 mol 58 unq 8 iso 0 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 9.86039 12.2123 5.85698 9.11258 numMergedOcc 0
32 mol 58 unq 9 iso 0 dist 9.4099 6.64012 6.47414 5.11205 6.31428 7.58407 12.3035 5.74871 11.387 8.71468 numMergedOcc 0
33 mol 58 unq 10 iso 0 dist 9.55426 6.81627 9.7274 13.1021 9.73139 15.9764 18.8985 12.2123 21.5025 9.11258 numMergedOcc 0
34 mol 58 unq 11 iso 0 dist 9.55426 6.81627 9.7274 6.75888 6.31428 10.335 7.21955 5.74871 7.09066 8.71468 numMergedOcc 0
35 mol 58 unq 12 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 18.8985 12.2123 16.7404 9.11258 numMergedOcc 0
36 mol 58 unq 13 iso 0 dist 9.55426 7.32874 5.90225 6.75888 6.31428 6.40841 7.21955 5.74871 7.12541 8.71468 numMergedOcc 0
37 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 5.33688 6.71911 12.8699 6.73347 9.64444 4.36133 9.2902 numMergedOcc 0
38 mol 59 unq 1 iso 0 dist 7.71095 8.25513 8.19458 5.33688 6.71911 11.6249 6.73347 9.64444 6.66692 9.2902 numMergedOcc 0
39 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 7.41074 8.70133 4.65521 9.24757 5.11416 6.56633 7.10439 numMergedOcc 0
40 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 7.41074 8.70133 15.9587 9.24757 5.11416 15.3808 7.10439 numMergedOcc 0
41 mol 73 unq 2 iso 0 dist 6.19304 9.96396 5.4148 7.41074 4.65521 8.70133 9.24757 6.56633 5.11416 7.10439 numMergedOcc 0
42 mol 73 unq 3 iso 0 dist 6.19304 8.70481 13.3558 7.41074 4.65521 15.9587 9.24757 6.56633 15.3808 7.10439 numMergedOcc 0
43 mol 92 unq 0 iso 0 dist 7.4729 6.82344 8.95922 6.99832 5.81965 9.70512 10.5753 8.55834 7.76866 7.1539 numMergedOcc 0
44 mol 92 unq 1 iso 0 dist 7.4729 6.82344 8.95922 6.99832 5.81965 9.70512 6.95572 9.50382 7.56363 5.39745 numMergedOcc 0
45 mol 92 unq 2 iso 0 dist 6.82344 7.4729 8.95922 6.99832 9.70512 5.81965 10.5753 7.76866 8.55834 7.1539 numMergedOcc 0
46 mol 92 unq 3 iso 0 dist 6.82344 7.4729 8.95922 6.99832 9.70512 5.81965 6.95572 7.56363 9.50382 5.39745 numMergedOcc 0
47 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 10.1589 8.72704 10.5193 9.5074 10.6245 6.71012 6.0652 numMergedOcc 0
48 mol 100 unq 1 iso 0 dist 7.47343 6.56369 12.6515 10.1589 8.72704 15.8984 9.5074 10.6245 13.0596 6.0652 numMergedOcc 0
49 mol 100 unq 2 iso 0 dist 7.47343 9.30209 13.887 10.1589 8.72704 14.8726 9.5074 10.6245 9.97598 6.0652 numMergedOcc 0
50 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 10.7942 7.76729 12.9821 13.3009 14.0688 16.1804 7.70313 numMergedOcc 0
51 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 10.2377 7.64585 12.2309 12.125 6.40494 10.4285 7.52142 numMergedOcc 0
52 mol 115 unq 2 iso 0 dist 5.83991 7.30858 10.8507 10.9739 7.76729 17.6696 17.0848 14.0688 24.0778 7.70313 numMergedOcc 0
53 mol 115 unq 3 iso 0 dist 5.83991 7.88312 8.02349 10.9739 7.76729 12.9821 17.0848 14.0688 16.1804 7.70313 numMergedOcc 0
54 mol 115 unq 4 iso 0 dist 6.11741 9.33865 8.02349 10.8292 6.99777 13.9977 11.0224 5.22052 11.8511 5.60389 numMergedOcc 0
55 mol 115 unq 5 iso 0 dist 6.11741 7.88312 7.69052 10.8939 7.64585 12.2309 12.2743 6.40494 10.4285 7.52142 numMergedOcc 0
56 mol 115 unq 6 iso 0 dist 7.88312 7.30858 11.5723 11.7126 6.99777 11.695 12.13 5.22052 13.2157 5.60389 numMergedOcc 0
57 mol 115 unq 7 iso 0 dist 7.88312 5.83991 8.02349 11.7126 6.99777 13.9977 12.13 5.22052 11.8511 5.60389 numMergedOcc 0
58 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 13.5028 5.92062 17.8146 6.51868 numMergedOcc 0
59 mol 133 unq 1 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 11.8433 6.61891 14.4607 7.34698 numMergedOcc 0
60 mol 133 unq 2 iso 0 dist 8.00618 6.80239 7.79672 12.2037 7.92688 15.1694 13.5028 5.92062 13.262 6.51868 numMergedOcc 0
61 mol 133 unq 3 iso 0 dist 8.00618 6.80239 7.79672 12.2037 7.92688 15.1694 11.8433 6.61891 13.1361 7.34698 numMergedOcc 0
62 mol 134 unq 0 iso 0 dist 6.54501 9.89303 5.79898 10.1448 8.6355 12.0514 7.69991 5.71679 4.60632 8.73604 numMergedOcc 0
63 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 5.41704 8.79571 5.42582 6.23142 4.57832 5.29786 8.73604 numMergedOcc 0
64 mol 134 unq 2 iso 0 dist 8.94367 6.49416 8.80819 5.41704 8.79571 8.6355 6.23142 4.57832 5.71679 8.73604 numMergedOcc 0
65 mol 134 unq 3 iso 0 dist 6.37586 8.94367 5.49782 5.41704 5.42582 8.79571 6.23142 5.29786 4.57832 8.73604 numMergedOcc 0
66 mol 134 unq 4 iso 0 dist 6.37586 6.49416 5.00817 5.41704 5.42582 8.6355 6.23142 5.29786 5.71679 8.73604 numMergedOcc 0
67 mol 134 unq 5 iso 0 dist 6.49416 8.94367 8.80819 5.41704 8.6355 8.79571 6.23142 5.71679 4.57832 8.73604 numMergedOcc 0
68 mol 134 unq 6 iso 0 dist 6.49416 6.37586 5.00817 5.41704 8.6355 5.42582 6.23142 5.71679 5.29786 8.73604 numMergedOcc 0
69 mol 134 unq 7 iso 0 dist 9.86662 9.71307 5.49782 6.17103 8.79571 5.42582 9.94764 4.57832 5.29786 8.73604 numMergedOcc 0
70 mol 134 unq 8 iso 0 dist 9.71307 9.86662 5.49782 6.17103 5.42582 8.79571 9.94764 5.29786 4.57832 8.73604 numMergedOcc 0
71 mol 155 unq 0 iso 0 dist 6.23493 7.46303 5.71071 6.3845 7.16254 9.14392 10.9606 10.4923 6.89781 9.0529 numMergedOcc 0
72 mol 155 unq 1 iso 0 dist 6.23493 7.46303 5.71071 5.86939 9.86313 7.51198 12.2416 11.0769 5.50031 9.80845 numMergedOcc 0
73 mol 155 unq 2 iso 0 dist 6.23493 7.46303 5.71071 5.86939 9.86313 7.51198 10.9606 10.4923 6.89781 7.55196 numMergedOcc 0
74 mol 155 unq 3 iso 0 dist 7.46303 6.23493 5.71071 6.3845 9.14392 7.16254 10.9606 6.89781 10.4923 9.0529 numMergedOcc 0
75 mol 155 unq 4 iso 0 dist 7.46303 6.23493 5.71071 5.86939 7.51198 9.86313 12.2416 5.50031 11.0769 9.80845 numMergedOcc 0
76 mol 155 unq 5 iso 0 dist 7.46303 6.23493 5.71071 5.86939 7.51198 9.86313 10.9606 6.89781 10.4923 7.55196 numMergedOcc 0
77 mol 156 unq 0 iso 0 dist 8.94056 7.66148 10.1658 8.67156 6.27641 10.9818 7.90267 5.4555 6.03934 5.81122 numMergedOcc 0
78 mol 175 unq 0 iso 0 dist 9.0018 7.652 7.42466 8.22779 9.8589 7.24908 10.4182 8.29015 4.63177 5.4997 numMergedOcc 0
79 mol 175 unq 1 iso 0 dist 9.0018 7.652 7.42466 8.22779 9.8589 7.24908 13.5281 14.7282 9.30597 6.99693 numMergedOcc 0
80 mol 175 unq 2 iso 0 dist 7.652 9.0018 7.42466 8.22779 7.24908 9.8589 10.4182 4.63177 8.29015 5.4997 numMergedOcc 0
81 mol 175 unq 3 iso 0 dist 7.652 9.0018 7.42466 8.22779 7.24908 9.8589 13.5281 9.30597 14.7282 6.99693 numMergedOcc 0
82 mol 175 unq 4 iso 0 dist 5.6234 9.92231 7.42466 10.5631 9.8589 7.24908 11.6765 8.29015 4.63177 5.4997 numMergedOcc 0
83 mol 175 unq 5 iso 0 dist 5.6234 9.92231 7.42466 10.5631 9.8589 7.24908 16.8306 14.7282 9.30597 6.99693 numMergedOcc 0
84 mol 175 unq 6 iso 0 dist 9.92231 5.6234 7.42466 10.5631 7.24908 9.8589 11.6765 4.63177 8.29015 5.4997 numMergedOcc 0
85 mol 175 unq 7 iso 0 dist 9.92231 5.6234 7.42466 10.5631 7.24908 9.8589 16.8306 9.30597 14.7282 6.99693 numMergedOcc 0
86 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 6.25083 6.94688 12.1309 6.2479 6.6251 7.81713 9.06217 numMergedOcc 0
87 mol 181 unq 1 iso 0 dist 9.1374 8.03334 13.2049 4.77278 6.71012 12.2058 6.2479 6.6251 7.81713 7.13252 numMergedOcc 0
88 mol 181 unq 2 iso 0 dist 5.98885 9.1374 8.88798 10.0524 7.13543 10.7636 10.6908 5.77299 8.04639 6.32777 numMergedOcc 0
89 mol 181 unq 3 iso 0 dist 5.98885 9.15386 5.16002 10.0524 7.13543 11.8099 10.6908 5.77299 8.85666 6.32777 numMergedOcc 0
90 mol 181 unq 4 iso 0 dist 5.98885 9.09537 10.1912 5.86342 6.94688 14.4632 7.99195 6.6251 10.09 9.06217 numMergedOcc 0
91 mol 181 unq 5 iso 0 dist 5.98885 9.09537 10.1912 9.14057 6.71012 15.4777 7.99195 6.6251 10.09 7.13252 numMergedOcc 0
92 mol 181 unq 6 iso 0 dist 9.15386 9.1374 12.1628 8.25067 9.6668 13.2702 8.90963 9.34211 8.91338 5.95304 numMergedOcc 0
93 mol 181 unq 7 iso 0 dist 9.15386 5.98885 5.16002 8.25067 9.6668 10.8351 8.90963 9.34211 9.81073 5.95304 numMergedOcc 0
94 mol 181 unq 8 iso 0 dist 7.81386 7.63312 8.85576 6.7991 4.93785 10.1232 5.94469 7.77758 12.5387 7.05653 numMergedOcc 0
95 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 5.71262 8.36822 12.1647 8.77999 8.49529 11.7523 7.33225 numMergedOcc 0
96 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 6.43754 8.17891 12.4085 5.41321 10.9607 10.7656 7.57454 numMergedOcc 0
97 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 6.43754 8.17891 6.95902 5.41321 10.9607 9.72615 7.57454 numMergedOcc 0
98 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 6.43754 8.17891 11.004 5.41321 10.9607 5.10635 7.57454 numMergedOcc 0
99 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 6.43754 8.17891 12.8864 5.41321 10.9607 6.48027 7.57454 numMergedOcc 0
100 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 6.43754 6.95902 12.4085 5.41321 9.72615 10.7656 7.57454 numMergedOcc 0
101 mol 227 unq 5 iso 0 dist 8.65997 7.22101 5.22356 6.43754 6.95902 8.17891 5.41321 9.72615 10.9607 7.57454 numMergedOcc 0
102 mol 227 unq 6 iso 0 dist 8.65997 7.56888 9.70012 6.43754 6.95902 11.004 5.41321 9.72615 5.10635 7.57454 numMergedOcc 0
103 mol 227 unq 7 iso 0 dist 8.65997 7.55216 12.9332 6.43754 6.95902 12.8864 5.41321 9.72615 6.48027 7.57454 numMergedOcc 0
104 mol 227 unq 8 iso 0 dist 7.55216 9.34734 9.51866 11.662 8.83563 14.4583 13.0798 6.67321 10.3825 9.28891 numMergedOcc 0
105 mol 227 unq 9 iso 0 dist 7.55216 7.22101 12.4689 11.662 8.83563 15.9414 13.0798 6.67321 15.6713 9.28891 numMergedOcc 0
106 mol 227 unq 10 iso 0 dist 7.55216 8.65997 12.9332 11.662 8.83563 18.8667 13.0798 6.67321 16.6985 9.28891 numMergedOcc 0
107 mol 227 unq 11 iso 0 dist 7.55216 7.56888 4.48529 11.662 8.83563 12.9801 13.0798 6.67321 8.86483 9.28891 numMergedOcc 0
108 mol 234 unq 0 iso 0 dist 9.45496 6.56247 5.88703 15.9563 9.5707 10.3388 17.6227 10.0059 13.8349 7.43663 numMergedOcc 0
109 mol 234 unq 1 iso 0 dist 6.7625 9.36357 5.88703 14.4106 9.5707 10.3388 12.6238 10.0059 13.8349 7.43663 numMergedOcc 0
110 mol 259 unq 0 iso 0 dist 7.88519 8.13497 4.69778 11.6195 7.48005 10.9591 7.98231 8.81835 8.41846 8.71497 numMergedOcc 0
111 mol 282 unq 0 iso 0 dist 8.04483 8.76532 10.0156 6.3384 6.85028 10.4802 10.6906 7.80785 8.2662 6.8972 numMergedOcc 0
112 mol 282 unq 1 iso 0 dist 8.04483 6.33524 5.39891 6.3384 6.85028 7.32347 10.6906 7.80785 6.6348 6.8972 numMergedOcc 0
113 mol 282 unq 2 iso 0 dist 6.33524 8.04483 5.39891 6.3384 7.32347 6.85028 10.6906 6.6348 7.80785 6.8972 numMergedOcc 0
114 mol 282 unq 3 iso 0 dist 6.33524 8.76532 4.66602 6.3384 7.32347 10.4802 10.6906 6.6348 8.2662 6.8972 numMergedOcc 0
