0 mol 24 unq 0 iso 0 dist 6.60423 7.05502 7.83786 5.39241 8.62284 4.51549 5.86882 5.47982 4.56797 7.22293 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 7.83786 7.05502 6.60423 4.51549 8.62284 5.39241 4.56797 5.47982 5.86882 7.22293 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.7817 5.26258 7.55415 10.8374 8.58568 7.95173 14.3077 7.57624 10.3139 8.06019 numMergedOcc 0
3 mol 30 unq 0 iso 1 dist 7.55415 5.26258 8.7817 7.95173 8.58568 10.8374 10.3139 7.57624 14.3077 8.06019 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 9.53458 5.59383 9.16649 11.1435 6.25866 9.34878 7.72347 6.83373 5.65461 4.04769 numMergedOcc 0
5 mol 42 unq 0 iso 1 dist 9.16649 5.59383 9.53458 9.34878 6.25866 11.1435 5.65461 6.83373 7.72347 4.04769 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 7.99857 4.85907 8.56342 6.35763 9.87025 10.0197 4.55137 8.81779 6.42493 4.15435 numMergedOcc 0
7 mol 119 unq 0 iso 1 dist 8.56342 4.85907 7.99857 10.0197 9.87025 6.35763 6.42493 8.81779 4.55137 4.15435 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 7.99857 4.85907 8.56342 7.36192 5.85818 10.6679 4.55137 8.81779 6.42493 9.54775 numMergedOcc 0
9 mol 119 unq 1 iso 1 dist 8.56342 4.85907 7.99857 10.6679 5.85818 7.36192 6.42493 8.81779 4.55137 9.54775 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 9.02318 6.83844 9.74542 12.144 8.12589 10.2478 5.29844 6.49708 6.55924 12.0468 numMergedOcc 0
11 mol 148 unq 0 iso 1 dist 9.74542 6.83844 9.02318 10.2478 8.12589 12.144 6.55924 6.49708 5.29844 12.0468 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 9.02318 7.26616 7.97543 12.144 8.12589 6.29254 5.29844 6.49708 9.61708 12.0468 numMergedOcc 0
13 mol 148 unq 1 iso 1 dist 7.97543 7.26616 9.02318 6.29254 8.12589 12.144 9.61708 6.49708 5.29844 12.0468 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 9.74542 8.72919 7.97543 10.2478 8.12589 6.29254 6.55924 6.49708 9.61708 12.0468 numMergedOcc 0
15 mol 148 unq 1 iso 1 dist 7.97543 8.72919 9.74542 6.29254 8.12589 10.2478 9.61708 6.49708 6.55924 12.0468 numMergedOcc 0
16 mol 150 unq 0 iso 0 dist 9.6606 8.77324 7.85526 10.2318 8.11592 6.25747 6.62435 6.45018 9.72618 12.1191 numMergedOcc 0
17 mol 150 unq 0 iso 1 dist 7.85526 8.77324 9.6606 6.25747 8.11592 10.2318 9.72618 6.45018 6.62435 12.1191 numMergedOcc 0
18 mol 150 unq 1 iso 0 dist 9.6606 6.98865 8.94552 10.2318 8.11592 12.154 6.62435 6.45018 5.50847 12.1191 numMergedOcc 0
19 mol 150 unq 1 iso 1 dist 8.94552 6.98865 9.6606 12.154 8.11592 10.2318 5.50847 6.45018 6.62435 12.1191 numMergedOcc 0
20 mol 150 unq 1 iso 0 dist 7.85526 7.24908 8.94552 6.25747 8.11592 12.154 9.72618 6.45018 5.50847 12.1191 numMergedOcc 0
21 mol 150 unq 1 iso 1 dist 8.94552 7.24908 7.85526 12.154 8.11592 6.25747 5.50847 6.45018 9.72618 12.1191 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 7.71426 7.31409 5.10618 8.08908 5.73148 6.05805 8.62666 7.75632 11.8746 10.2914 numMergedOcc 0
23 mol 171 unq 0 iso 1 dist 5.10618 7.31409 7.71426 6.05805 5.73148 8.08908 11.8746 7.75632 8.62666 10.2914 numMergedOcc 0
24 mol 171 unq 1 iso 0 dist 7.71426 13.6814 9.86681 8.08908 5.73148 8.83561 8.62666 7.75632 9.0509 10.2914 numMergedOcc 0
25 mol 171 unq 1 iso 1 dist 9.86681 13.6814 7.71426 8.83561 5.73148 8.08908 9.0509 7.75632 8.62666 10.2914 numMergedOcc 0
26 mol 171 unq 1 iso 0 dist 5.10618 13.7214 9.86681 6.05805 5.73148 8.83561 11.8746 7.75632 9.0509 10.2914 numMergedOcc 0
27 mol 171 unq 1 iso 1 dist 9.86681 13.7214 5.10618 8.83561 5.73148 6.05805 9.0509 7.75632 11.8746 10.2914 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 6.26839 8.0179 8.12346 15.9311 9.77862 13.7758 11.1912 7.39369 6.11279 8.35231 numMergedOcc 0
29 mol 194 unq 0 iso 1 dist 8.12346 8.0179 6.26839 13.7758 9.77862 15.9311 6.11279 7.39369 11.1912 8.35231 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 6.26839 14.6506 8.83356 15.9311 9.77862 5.38925 11.1912 7.39369 9.99597 8.35231 numMergedOcc 0
31 mol 194 unq 1 iso 1 dist 8.83356 14.6506 6.26839 5.38925 9.77862 15.9311 9.99597 7.39369 11.1912 8.35231 numMergedOcc 0
32 mol 194 unq 2 iso 0 dist 6.26839 8.48054 8.2654 15.9311 9.77862 14.2415 11.1912 7.39369 9.50345 8.35231 numMergedOcc 0
33 mol 194 unq 2 iso 1 dist 8.2654 8.48054 6.26839 14.2415 9.77862 15.9311 9.50345 7.39369 11.1912 8.35231 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 8.12346 13.5632 8.83356 13.7758 9.77862 5.38925 6.11279 7.39369 9.99597 8.35231 numMergedOcc 0
35 mol 194 unq 1 iso 1 dist 8.83356 13.5632 8.12346 5.38925 9.77862 13.7758 9.99597 7.39369 6.11279 8.35231 numMergedOcc 0
36 mol 194 unq 2 iso 0 dist 8.12346 6.26298 8.2654 13.7758 9.77862 14.2415 6.11279 7.39369 9.50345 8.35231 numMergedOcc 0
37 mol 194 unq 2 iso 1 dist 8.2654 6.26298 8.12346 14.2415 9.77862 13.7758 9.50345 7.39369 6.11279 8.35231 numMergedOcc 0
38 mol 194 unq 2 iso 0 dist 8.83356 11.6097 8.2654 5.38925 9.77862 14.2415 9.99597 7.39369 9.50345 8.35231 numMergedOcc 0
39 mol 194 unq 2 iso 1 dist 8.2654 11.6097 8.83356 14.2415 9.77862 5.38925 9.50345 7.39369 9.99597 8.35231 numMergedOcc 0
40 mol 205 unq 0 iso 0 dist 8.44861 7.38516 5.60393 8.66809 5.42696 6.23291 12.2848 6.61806 9.41884 4.13682 numMergedOcc 0
41 mol 205 unq 0 iso 1 dist 5.60393 7.38516 8.44861 6.23291 5.42696 8.66809 9.41884 6.61806 12.2848 4.13682 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 8.44861 7.38516 5.60393 8.66809 5.42696 6.23291 9.73907 7.85966 12.3578 10.0576 numMergedOcc 0
43 mol 205 unq 1 iso 1 dist 5.60393 7.38516 8.44861 6.23291 5.42696 8.66809 12.3578 7.85966 9.73907 10.0576 numMergedOcc 0
44 mol 214 unq 0 iso 0 dist 7.05523 12.7897 8.46327 7.62375 7.2498 10.7373 3.7112 9.734 15.5459 7.71824 numMergedOcc 0
45 mol 214 unq 0 iso 1 dist 8.46327 12.7897 7.05523 10.7373 7.2498 7.62375 15.5459 9.734 3.7112 7.71824 numMergedOcc 0
46 mol 227 unq 0 iso 0 dist 8.38865 5.22356 5.4694 9.60993 9.20589 5.34702 6.21901 7.14633 6.29394 8.85098 numMergedOcc 0
47 mol 227 unq 0 iso 1 dist 5.4694 5.22356 8.38865 5.34702 9.20589 9.60993 6.29394 7.14633 6.21901 8.85098 numMergedOcc 0
48 mol 227 unq 1 iso 0 dist 8.38865 5.22356 5.4694 9.60993 9.20589 5.34702 13.798 9.94302 10.9445 13.7364 numMergedOcc 0
49 mol 227 unq 1 iso 1 dist 5.4694 5.22356 8.38865 5.34702 9.20589 9.60993 10.9445 9.94302 13.798 13.7364 numMergedOcc 0
50 mol 227 unq 2 iso 0 dist 8.38865 5.22356 5.4694 13.3557 7.89801 8.8709 6.21901 7.14633 6.29394 13.8875 numMergedOcc 0
51 mol 227 unq 2 iso 1 dist 5.4694 5.22356 8.38865 8.8709 7.89801 13.3557 6.29394 7.14633 6.21901 13.8875 numMergedOcc 0
52 mol 227 unq 3 iso 0 dist 8.38865 5.22356 5.4694 13.3557 7.89801 8.8709 13.798 9.94302 10.9445 5.45009 numMergedOcc 0
53 mol 227 unq 3 iso 1 dist 5.4694 5.22356 8.38865 8.8709 7.89801 13.3557 10.9445 9.94302 13.798 5.45009 numMergedOcc 0
54 mol 230 unq 0 iso 0 dist 9.09271 5.53477 7.44838 11.2344 8.85215 8.44099 15.5042 7.74885 11.3478 10.0105 numMergedOcc 0
55 mol 230 unq 0 iso 1 dist 7.44838 5.53477 9.09271 8.44099 8.85215 11.2344 11.3478 7.74885 15.5042 10.0105 numMergedOcc 0
56 mol 240 unq 0 iso 0 dist 9.47583 4.28414 8.44909 10.7371 8.33853 7.75407 11.6095 7.35934 11.9494 9.47269 numMergedOcc 0
57 mol 240 unq 0 iso 1 dist 8.44909 4.28414 9.47583 7.75407 8.33853 10.7371 11.9494 7.35934 11.6095 9.47269 numMergedOcc 0
58 mol 240 unq 1 iso 0 dist 9.47583 4.28414 8.44909 13.9225 5.66537 12.076 11.6095 7.35934 11.9494 7.29448 numMergedOcc 0
59 mol 240 unq 1 iso 1 dist 8.44909 4.28414 9.47583 12.076 5.66537 13.9225 11.9494 7.35934 11.6095 7.29448 numMergedOcc 0
60 mol 252 unq 0 iso 0 dist 8.47784 13.2361 8.66469 4.23801 5.2361 9.12442 7.15243 6.77555 7.18984 4.17197 numMergedOcc 0
61 mol 252 unq 0 iso 1 dist 8.66469 13.2361 8.47784 9.12442 5.2361 4.23801 7.18984 6.77555 7.15243 4.17197 numMergedOcc 0
62 mol 252 unq 1 iso 0 dist 8.47784 13.2361 8.66469 13.6996 5.57515 7.35945 7.15243 6.77555 7.18984 9.43565 numMergedOcc 0
63 mol 252 unq 1 iso 1 dist 8.66469 13.2361 8.47784 7.35945 5.57515 13.6996 7.18984 6.77555 7.15243 9.43565 numMergedOcc 0
64 mol 252 unq 2 iso 0 dist 8.47784 13.2361 8.66469 15.4395 8.28694 5.26003 7.15243 6.77555 7.18984 10.6687 numMergedOcc 0
65 mol 252 unq 2 iso 1 dist 8.66469 13.2361 8.47784 5.26003 8.28694 15.4395 7.18984 6.77555 7.15243 10.6687 numMergedOcc 0
66 mol 261 unq 0 iso 0 dist 5.26434 7.00201 8.60026 7.49174 9.24121 5.22253 7.83541 7.75255 14.5304 14.3809 numMergedOcc 0
67 mol 261 unq 0 iso 1 dist 8.60026 7.00201 5.26434 5.22253 9.24121 7.49174 14.5304 7.75255 7.83541 14.3809 numMergedOcc 0
68 mol 261 unq 1 iso 0 dist 5.26434 7.00201 8.60026 7.49174 9.24121 5.22253 10.6727 8.96013 16.5975 15.1504 numMergedOcc 0
69 mol 261 unq 1 iso 1 dist 8.60026 7.00201 5.26434 5.22253 9.24121 7.49174 16.5975 8.96013 10.6727 15.1504 numMergedOcc 0
