0 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 5.641 7.83786 7.05502 8.08994 8.62284 5.39241 4.51549 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 5.78238 5.641 7.83786 9.59761 6.60423 7.05502 8.08994 8.62284 4.51549 5.39241 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 5.19692 5.59189 8.7817 7.78507 7.55415 5.26258 10.0649 8.58568 10.8374 7.95173 numMergedOcc 0
3 mol 30 unq 0 iso 1 dist 5.19692 7.78507 7.55415 5.59189 8.7817 5.26258 10.0649 8.58568 7.95173 10.8374 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 8.04465 13.006 9.53458 13.1762 9.16649 5.59383 5.06225 6.25866 11.1435 9.34878 numMergedOcc 0
5 mol 42 unq 0 iso 1 dist 8.04465 13.1762 9.16649 13.006 9.53458 5.59383 5.06225 6.25866 9.34878 11.1435 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 5.29515 7.12546 9.02318 10.7866 9.74542 6.83844 8.95758 8.12589 12.144 10.2478 numMergedOcc 0
7 mol 148 unq 0 iso 1 dist 5.29515 10.7866 9.74542 7.12546 9.02318 6.83844 8.95758 8.12589 10.2478 12.144 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 5.29515 7.12546 9.02318 5.2593 7.97543 7.26616 8.95758 8.12589 12.144 6.29254 numMergedOcc 0
9 mol 148 unq 1 iso 1 dist 5.29515 5.2593 7.97543 7.12546 9.02318 7.26616 8.95758 8.12589 6.29254 12.144 numMergedOcc 0
10 mol 148 unq 1 iso 0 dist 5.29515 10.7866 9.74542 5.2593 7.97543 8.72919 8.95758 8.12589 10.2478 6.29254 numMergedOcc 0
11 mol 148 unq 1 iso 1 dist 5.29515 5.2593 7.97543 10.7866 9.74542 8.72919 8.95758 8.12589 6.29254 10.2478 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 5.16917 10.734 9.6606 5.1918 7.85526 8.77324 8.91883 8.11592 10.2318 6.25747 numMergedOcc 0
13 mol 150 unq 0 iso 1 dist 5.16917 5.1918 7.85526 10.734 9.6606 8.77324 8.91883 8.11592 6.25747 10.2318 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 5.16917 10.734 9.6606 7.02896 8.94552 6.98865 8.91883 8.11592 10.2318 12.154 numMergedOcc 0
15 mol 150 unq 1 iso 1 dist 5.16917 7.02896 8.94552 10.734 9.6606 6.98865 8.91883 8.11592 12.154 10.2318 numMergedOcc 0
16 mol 150 unq 1 iso 0 dist 5.16917 5.1918 7.85526 7.02896 8.94552 7.24908 8.91883 8.11592 6.25747 12.154 numMergedOcc 0
17 mol 150 unq 1 iso 1 dist 5.16917 7.02896 8.94552 5.1918 7.85526 7.24908 8.91883 8.11592 12.154 6.25747 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 5.85349 5.65865 9.31851 5.73002 6.2319 7.14831 11.0872 9.54367 10.5873 13.2847 numMergedOcc 0
19 mol 156 unq 0 iso 1 dist 5.85349 5.73002 6.2319 5.65865 9.31851 7.14831 11.0872 9.54367 13.2847 10.5873 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 5.85349 5.65865 9.31851 5.73002 6.2319 7.14831 7.13872 7.26859 4.73711 5.97294 numMergedOcc 0
21 mol 156 unq 1 iso 1 dist 5.85349 5.73002 6.2319 5.65865 9.31851 7.14831 7.13872 7.26859 5.97294 4.73711 numMergedOcc 0
22 mol 156 unq 2 iso 0 dist 5.85349 5.65865 9.31851 11.2941 9.97732 9.98789 11.0872 9.54367 10.5873 14.42 numMergedOcc 0
23 mol 156 unq 2 iso 1 dist 5.85349 11.2941 9.97732 5.65865 9.31851 9.98789 11.0872 9.54367 14.42 10.5873 numMergedOcc 0
24 mol 156 unq 3 iso 0 dist 5.85349 5.65865 9.31851 11.2941 9.97732 9.98789 7.13872 7.26859 4.73711 6.53729 numMergedOcc 0
25 mol 156 unq 3 iso 1 dist 5.85349 11.2941 9.97732 5.65865 9.31851 9.98789 7.13872 7.26859 6.53729 4.73711 numMergedOcc 0
26 mol 156 unq 2 iso 0 dist 5.85349 5.73002 6.2319 11.2941 9.97732 6.31306 11.0872 9.54367 13.2847 14.42 numMergedOcc 0
27 mol 156 unq 2 iso 1 dist 5.85349 11.2941 9.97732 5.73002 6.2319 6.31306 11.0872 9.54367 14.42 13.2847 numMergedOcc 0
28 mol 156 unq 3 iso 0 dist 5.85349 5.73002 6.2319 11.2941 9.97732 6.31306 7.13872 7.26859 5.97294 6.53729 numMergedOcc 0
29 mol 156 unq 3 iso 1 dist 5.85349 11.2941 9.97732 5.73002 6.2319 6.31306 7.13872 7.26859 6.53729 5.97294 numMergedOcc 0
30 mol 171 unq 0 iso 0 dist 7.11599 12.3586 7.71426 9.45239 5.10618 7.31409 5.00808 5.73148 8.08908 6.05805 numMergedOcc 0
31 mol 171 unq 0 iso 1 dist 7.11599 9.45239 5.10618 12.3586 7.71426 7.31409 5.00808 5.73148 6.05805 8.08908 numMergedOcc 0
32 mol 171 unq 1 iso 0 dist 7.11599 12.3586 7.71426 6.08244 9.86681 13.6814 5.00808 5.73148 8.08908 8.83561 numMergedOcc 0
33 mol 171 unq 1 iso 1 dist 7.11599 6.08244 9.86681 12.3586 7.71426 13.6814 5.00808 5.73148 8.83561 8.08908 numMergedOcc 0
34 mol 171 unq 1 iso 0 dist 7.11599 9.45239 5.10618 6.08244 9.86681 13.7214 5.00808 5.73148 6.05805 8.83561 numMergedOcc 0
35 mol 171 unq 1 iso 1 dist 7.11599 6.08244 9.86681 9.45239 5.10618 13.7214 5.00808 5.73148 8.83561 6.05805 numMergedOcc 0
36 mol 194 unq 0 iso 0 dist 9.13708 5.03763 6.26839 12.8318 8.12346 8.0179 18.6899 9.77862 15.9311 13.7758 numMergedOcc 0
37 mol 194 unq 0 iso 1 dist 9.13708 12.8318 8.12346 5.03763 6.26839 8.0179 18.6899 9.77862 13.7758 15.9311 numMergedOcc 0
38 mol 194 unq 1 iso 0 dist 9.13708 5.03763 6.26839 16.5287 8.83356 14.6506 18.6899 9.77862 15.9311 5.38925 numMergedOcc 0
39 mol 194 unq 1 iso 1 dist 9.13708 16.5287 8.83356 5.03763 6.26839 14.6506 18.6899 9.77862 5.38925 15.9311 numMergedOcc 0
40 mol 194 unq 2 iso 0 dist 9.13708 5.03763 6.26839 11.4735 8.2654 8.48054 18.6899 9.77862 15.9311 14.2415 numMergedOcc 0
41 mol 194 unq 2 iso 1 dist 9.13708 11.4735 8.2654 5.03763 6.26839 8.48054 18.6899 9.77862 14.2415 15.9311 numMergedOcc 0
42 mol 194 unq 1 iso 0 dist 9.13708 12.8318 8.12346 16.5287 8.83356 13.5632 18.6899 9.77862 13.7758 5.38925 numMergedOcc 0
43 mol 194 unq 1 iso 1 dist 9.13708 16.5287 8.83356 12.8318 8.12346 13.5632 18.6899 9.77862 5.38925 13.7758 numMergedOcc 0
44 mol 194 unq 2 iso 0 dist 9.13708 12.8318 8.12346 11.4735 8.2654 6.26298 18.6899 9.77862 13.7758 14.2415 numMergedOcc 0
45 mol 194 unq 2 iso 1 dist 9.13708 11.4735 8.2654 12.8318 8.12346 6.26298 18.6899 9.77862 14.2415 13.7758 numMergedOcc 0
46 mol 194 unq 2 iso 0 dist 9.13708 16.5287 8.83356 11.4735 8.2654 11.6097 18.6899 9.77862 5.38925 14.2415 numMergedOcc 0
47 mol 194 unq 2 iso 1 dist 9.13708 11.4735 8.2654 16.5287 8.83356 11.6097 18.6899 9.77862 14.2415 5.38925 numMergedOcc 0
48 mol 227 unq 0 iso 0 dist 5.05201 9.08827 8.38865 5.70988 5.4694 5.22356 6.70019 9.20589 9.60993 5.34702 numMergedOcc 0
49 mol 227 unq 0 iso 1 dist 5.05201 5.70988 5.4694 9.08827 8.38865 5.22356 6.70019 9.20589 5.34702 9.60993 numMergedOcc 0
50 mol 227 unq 1 iso 0 dist 5.05201 9.08827 8.38865 5.70988 5.4694 5.22356 10.3655 7.89801 13.3557 8.8709 numMergedOcc 0
51 mol 227 unq 1 iso 1 dist 5.05201 5.70988 5.4694 9.08827 8.38865 5.22356 10.3655 7.89801 8.8709 13.3557 numMergedOcc 0
52 mol 230 unq 0 iso 0 dist 5.51163 5.53578 9.09271 7.7551 7.44838 5.53477 10.4585 8.85215 11.2344 8.44099 numMergedOcc 0
53 mol 230 unq 0 iso 1 dist 5.51163 7.7551 7.44838 5.53578 9.09271 5.53477 10.4585 8.85215 8.44099 11.2344 numMergedOcc 0
54 mol 248 unq 0 iso 0 dist 8.46518 4.53213 6.17052 6.33032 9.77666 5.55137 4.11367 8.53148 6.48757 5.51827 numMergedOcc 0
55 mol 248 unq 0 iso 1 dist 8.46518 6.33032 9.77666 4.53213 6.17052 5.55137 4.11367 8.53148 5.51827 6.48757 numMergedOcc 0
56 mol 261 unq 0 iso 0 dist 9.62681 11.0719 5.26434 15.7058 8.60026 7.00201 12.798 9.24121 7.49174 5.22253 numMergedOcc 0
57 mol 261 unq 0 iso 1 dist 9.62681 15.7058 8.60026 11.0719 5.26434 7.00201 12.798 9.24121 5.22253 7.49174 numMergedOcc 0
58 mol 272 unq 0 iso 0 dist 6.49719 11.8274 9.64269 5.81271 6.88809 6.6954 12.1002 7.55161 4.72202 8.5751 numMergedOcc 0
59 mol 272 unq 0 iso 1 dist 6.49719 5.81271 6.88809 11.8274 9.64269 6.6954 12.1002 7.55161 8.5751 4.72202 numMergedOcc 0
60 mol 272 unq 1 iso 0 dist 6.49719 11.8274 9.64269 11.2831 8.46061 8.12676 12.1002 7.55161 4.72202 8.52877 numMergedOcc 0
61 mol 272 unq 1 iso 1 dist 6.49719 11.2831 8.46061 11.8274 9.64269 8.12676 12.1002 7.55161 8.52877 4.72202 numMergedOcc 0
62 mol 272 unq 1 iso 0 dist 6.49719 5.81271 6.88809 11.2831 8.46061 7.34222 12.1002 7.55161 8.5751 8.52877 numMergedOcc 0
63 mol 272 unq 1 iso 1 dist 6.49719 11.2831 8.46061 5.81271 6.88809 7.34222 12.1002 7.55161 8.52877 8.5751 numMergedOcc 0
64 mol 272 unq 2 iso 0 dist 5.7564 11.082 9.64269 5.82123 6.88809 6.6954 11.0654 7.55161 4.72202 8.5751 numMergedOcc 0
65 mol 272 unq 2 iso 1 dist 5.7564 5.82123 6.88809 11.082 9.64269 6.6954 11.0654 7.55161 8.5751 4.72202 numMergedOcc 0
66 mol 272 unq 3 iso 0 dist 5.7564 11.082 9.64269 6.72149 8.46061 8.12676 11.0654 7.55161 4.72202 8.52877 numMergedOcc 0
67 mol 272 unq 3 iso 1 dist 5.7564 6.72149 8.46061 11.082 9.64269 8.12676 11.0654 7.55161 8.52877 4.72202 numMergedOcc 0
68 mol 272 unq 3 iso 0 dist 5.7564 5.82123 6.88809 6.72149 8.46061 7.34222 11.0654 7.55161 8.5751 8.52877 numMergedOcc 0
69 mol 272 unq 3 iso 1 dist 5.7564 6.72149 8.46061 5.82123 6.88809 7.34222 11.0654 7.55161 8.52877 8.5751 numMergedOcc 0
70 mol 279 unq 0 iso 0 dist 7.92537 13.9298 8.29305 9.73122 6.43341 6.67478 10.8222 8.23056 5.3373 7.18967 numMergedOcc 0
71 mol 279 unq 0 iso 1 dist 7.92537 9.73122 6.43341 13.9298 8.29305 6.67478 10.8222 8.23056 7.18967 5.3373 numMergedOcc 0
