0 mol 1 unq 0 iso 0 dist 9.60596 9.01148 8.26708 12.4943 6.09918 5.92202 15.4778 8.31812 12.3378 10.1354 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 9.60596 12.4943 6.09918 9.01148 8.26708 5.92202 15.4778 8.31812 10.1354 12.3378 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 5.641 7.83786 7.05502 6.4301 5.47982 5.86882 4.56797 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 5.78238 5.641 7.83786 9.59761 6.60423 7.05502 6.4301 5.47982 4.56797 5.86882 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 5.19692 5.59189 8.7817 7.78507 7.55415 5.26258 12.3358 7.57624 14.3077 10.3139 numMergedOcc 0
5 mol 30 unq 0 iso 1 dist 5.19692 7.78507 7.55415 5.59189 8.7817 5.26258 12.3358 7.57624 10.3139 14.3077 numMergedOcc 0
6 mol 42 unq 0 iso 0 dist 8.04465 13.006 9.53458 13.1762 9.16649 5.59383 7.81761 6.83373 7.72347 5.65461 numMergedOcc 0
7 mol 42 unq 0 iso 1 dist 8.04465 13.1762 9.16649 13.006 9.53458 5.59383 7.81761 6.83373 5.65461 7.72347 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 5.29515 7.12546 9.02318 10.7866 9.74542 6.83844 8.01647 6.49708 5.29844 6.55924 numMergedOcc 0
9 mol 148 unq 0 iso 1 dist 5.29515 10.7866 9.74542 7.12546 9.02318 6.83844 8.01647 6.49708 6.55924 5.29844 numMergedOcc 0
10 mol 148 unq 1 iso 0 dist 5.29515 7.12546 9.02318 5.2593 7.97543 7.26616 8.01647 6.49708 5.29844 9.61708 numMergedOcc 0
11 mol 148 unq 1 iso 1 dist 5.29515 5.2593 7.97543 7.12546 9.02318 7.26616 8.01647 6.49708 9.61708 5.29844 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 5.29515 10.7866 9.74542 5.2593 7.97543 8.72919 8.01647 6.49708 6.55924 9.61708 numMergedOcc 0
13 mol 148 unq 1 iso 1 dist 5.29515 5.2593 7.97543 10.7866 9.74542 8.72919 8.01647 6.49708 9.61708 6.55924 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 5.16917 10.734 9.6606 5.1918 7.85526 8.77324 8.04275 6.45018 6.62435 9.72618 numMergedOcc 0
15 mol 150 unq 0 iso 1 dist 5.16917 5.1918 7.85526 10.734 9.6606 8.77324 8.04275 6.45018 9.72618 6.62435 numMergedOcc 0
16 mol 150 unq 1 iso 0 dist 5.16917 10.734 9.6606 7.02896 8.94552 6.98865 8.04275 6.45018 6.62435 5.50847 numMergedOcc 0
17 mol 150 unq 1 iso 1 dist 5.16917 7.02896 8.94552 10.734 9.6606 6.98865 8.04275 6.45018 5.50847 6.62435 numMergedOcc 0
18 mol 150 unq 1 iso 0 dist 5.16917 5.1918 7.85526 7.02896 8.94552 7.24908 8.04275 6.45018 9.72618 5.50847 numMergedOcc 0
19 mol 150 unq 1 iso 1 dist 5.16917 7.02896 8.94552 5.1918 7.85526 7.24908 8.04275 6.45018 5.50847 9.72618 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 7.11599 12.3586 7.71426 9.45239 5.10618 7.31409 11.1953 7.75632 8.62666 11.8746 numMergedOcc 0
21 mol 171 unq 0 iso 1 dist 7.11599 9.45239 5.10618 12.3586 7.71426 7.31409 11.1953 7.75632 11.8746 8.62666 numMergedOcc 0
22 mol 171 unq 1 iso 0 dist 7.11599 12.3586 7.71426 6.08244 9.86681 13.6814 11.1953 7.75632 8.62666 9.0509 numMergedOcc 0
23 mol 171 unq 1 iso 1 dist 7.11599 6.08244 9.86681 12.3586 7.71426 13.6814 11.1953 7.75632 9.0509 8.62666 numMergedOcc 0
24 mol 171 unq 1 iso 0 dist 7.11599 9.45239 5.10618 6.08244 9.86681 13.7214 11.1953 7.75632 11.8746 9.0509 numMergedOcc 0
25 mol 171 unq 1 iso 1 dist 7.11599 6.08244 9.86681 9.45239 5.10618 13.7214 11.1953 7.75632 9.0509 11.8746 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 9.13708 5.03763 6.26839 12.8318 8.12346 8.0179 15.6006 7.39369 11.1912 6.11279 numMergedOcc 0
27 mol 194 unq 0 iso 1 dist 9.13708 12.8318 8.12346 5.03763 6.26839 8.0179 15.6006 7.39369 6.11279 11.1912 numMergedOcc 0
28 mol 194 unq 1 iso 0 dist 9.13708 5.03763 6.26839 16.5287 8.83356 14.6506 15.6006 7.39369 11.1912 9.99597 numMergedOcc 0
29 mol 194 unq 1 iso 1 dist 9.13708 16.5287 8.83356 5.03763 6.26839 14.6506 15.6006 7.39369 9.99597 11.1912 numMergedOcc 0
30 mol 194 unq 2 iso 0 dist 9.13708 5.03763 6.26839 11.4735 8.2654 8.48054 15.6006 7.39369 11.1912 9.50345 numMergedOcc 0
31 mol 194 unq 2 iso 1 dist 9.13708 11.4735 8.2654 5.03763 6.26839 8.48054 15.6006 7.39369 9.50345 11.1912 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 9.13708 12.8318 8.12346 16.5287 8.83356 13.5632 15.6006 7.39369 6.11279 9.99597 numMergedOcc 0
33 mol 194 unq 1 iso 1 dist 9.13708 16.5287 8.83356 12.8318 8.12346 13.5632 15.6006 7.39369 9.99597 6.11279 numMergedOcc 0
34 mol 194 unq 2 iso 0 dist 9.13708 12.8318 8.12346 11.4735 8.2654 6.26298 15.6006 7.39369 6.11279 9.50345 numMergedOcc 0
35 mol 194 unq 2 iso 1 dist 9.13708 11.4735 8.2654 12.8318 8.12346 6.26298 15.6006 7.39369 9.50345 6.11279 numMergedOcc 0
36 mol 194 unq 2 iso 0 dist 9.13708 16.5287 8.83356 11.4735 8.2654 11.6097 15.6006 7.39369 9.99597 9.50345 numMergedOcc 0
37 mol 194 unq 2 iso 1 dist 9.13708 11.4735 8.2654 16.5287 8.83356 11.6097 15.6006 7.39369 9.50345 9.99597 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 5.05201 9.08827 8.38865 5.70988 5.4694 5.22356 4.97404 7.14633 6.21901 6.29394 numMergedOcc 0
39 mol 227 unq 0 iso 1 dist 5.05201 5.70988 5.4694 9.08827 8.38865 5.22356 4.97404 7.14633 6.29394 6.21901 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 5.05201 9.08827 8.38865 5.70988 5.4694 5.22356 13.9288 9.94302 13.798 10.9445 numMergedOcc 0
41 mol 227 unq 1 iso 1 dist 5.05201 5.70988 5.4694 9.08827 8.38865 5.22356 13.9288 9.94302 10.9445 13.798 numMergedOcc 0
42 mol 230 unq 0 iso 0 dist 5.51163 5.53578 9.09271 7.7551 7.44838 5.53477 13.1305 7.74885 15.5042 11.3478 numMergedOcc 0
43 mol 230 unq 0 iso 1 dist 5.51163 7.7551 7.44838 5.53578 9.09271 5.53477 13.1305 7.74885 11.3478 15.5042 numMergedOcc 0
44 mol 261 unq 0 iso 0 dist 9.62681 11.0719 5.26434 15.7058 8.60026 7.00201 9.14813 7.75255 7.83541 14.5304 numMergedOcc 0
45 mol 261 unq 0 iso 1 dist 9.62681 15.7058 8.60026 11.0719 5.26434 7.00201 9.14813 7.75255 14.5304 7.83541 numMergedOcc 0
46 mol 261 unq 1 iso 0 dist 9.62681 11.0719 5.26434 15.7058 8.60026 7.00201 5.19294 8.96013 10.6727 16.5975 numMergedOcc 0
47 mol 261 unq 1 iso 1 dist 9.62681 15.7058 8.60026 11.0719 5.26434 7.00201 5.19294 8.96013 16.5975 10.6727 numMergedOcc 0
