0 mol 1 unq 0 iso 0 dist 8.26708 5.92202 6.09918 12.3378 8.31812 10.1354 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 6.09918 5.92202 8.26708 10.1354 8.31812 12.3378 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.60423 7.05502 7.83786 5.86882 5.47982 4.56797 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 7.83786 7.05502 6.60423 4.56797 5.47982 5.86882 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 4.93188 12.3067 9.24958 7.6222 4.87192 11.7026 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 9.24958 12.3067 4.93188 11.7026 4.87192 7.6222 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 5.81959 10.6808 6.90155 5.52519 5.44124 7.19007 numMergedOcc 0
7 mol 25 unq 0 iso 1 dist 6.90155 10.6808 5.81959 7.19007 5.44124 5.52519 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 8.7817 5.26258 7.55415 14.3077 7.57624 10.3139 numMergedOcc 0
9 mol 30 unq 0 iso 1 dist 7.55415 5.26258 8.7817 10.3139 7.57624 14.3077 numMergedOcc 0
10 mol 42 unq 0 iso 0 dist 9.53458 5.59383 9.16649 7.72347 6.83373 5.65461 numMergedOcc 0
11 mol 42 unq 0 iso 1 dist 9.16649 5.59383 9.53458 5.65461 6.83373 7.72347 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 7.04044 5.4148 8.73253 8.00278 9.22853 10.4159 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 8.73253 5.4148 7.04044 10.4159 9.22853 8.00278 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 8.00777 4.26409 7.1589 6.62562 6.00564 5.46695 numMergedOcc 0
15 mol 85 unq 0 iso 1 dist 7.1589 4.26409 8.00777 5.46695 6.00564 6.62562 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.67766 6.48636 8.0831 9.44195 7.04752 4.26194 numMergedOcc 0
17 mol 109 unq 0 iso 1 dist 8.0831 6.48636 8.67766 4.26194 7.04752 9.44195 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 7.99857 4.85907 8.56342 4.55137 8.81779 6.42493 numMergedOcc 0
19 mol 119 unq 0 iso 1 dist 8.56342 4.85907 7.99857 6.42493 8.81779 4.55137 numMergedOcc 0
20 mol 148 unq 0 iso 0 dist 9.02318 6.83844 9.74542 5.29844 6.49708 6.55924 numMergedOcc 0
21 mol 148 unq 0 iso 1 dist 9.74542 6.83844 9.02318 6.55924 6.49708 5.29844 numMergedOcc 0
22 mol 148 unq 1 iso 0 dist 9.02318 7.26616 7.97543 5.29844 6.49708 9.61708 numMergedOcc 0
23 mol 148 unq 1 iso 1 dist 7.97543 7.26616 9.02318 9.61708 6.49708 5.29844 numMergedOcc 0
24 mol 148 unq 1 iso 0 dist 9.74542 8.72919 7.97543 6.55924 6.49708 9.61708 numMergedOcc 0
25 mol 148 unq 1 iso 1 dist 7.97543 8.72919 9.74542 9.61708 6.49708 6.55924 numMergedOcc 0
26 mol 150 unq 0 iso 0 dist 9.6606 8.77324 7.85526 6.62435 6.45018 9.72618 numMergedOcc 0
27 mol 150 unq 0 iso 1 dist 7.85526 8.77324 9.6606 9.72618 6.45018 6.62435 numMergedOcc 0
28 mol 150 unq 1 iso 0 dist 9.6606 6.98865 8.94552 6.62435 6.45018 5.50847 numMergedOcc 0
29 mol 150 unq 1 iso 1 dist 8.94552 6.98865 9.6606 5.50847 6.45018 6.62435 numMergedOcc 0
30 mol 150 unq 1 iso 0 dist 7.85526 7.24908 8.94552 9.72618 6.45018 5.50847 numMergedOcc 0
31 mol 150 unq 1 iso 1 dist 8.94552 7.24908 7.85526 5.50847 6.45018 9.72618 numMergedOcc 0
32 mol 171 unq 0 iso 0 dist 7.71426 7.31409 5.10618 8.62666 7.75632 11.8746 numMergedOcc 0
33 mol 171 unq 0 iso 1 dist 5.10618 7.31409 7.71426 11.8746 7.75632 8.62666 numMergedOcc 0
34 mol 171 unq 1 iso 0 dist 7.71426 13.6814 9.86681 8.62666 7.75632 9.0509 numMergedOcc 0
35 mol 171 unq 1 iso 1 dist 9.86681 13.6814 7.71426 9.0509 7.75632 8.62666 numMergedOcc 0
36 mol 171 unq 1 iso 0 dist 5.10618 13.7214 9.86681 11.8746 7.75632 9.0509 numMergedOcc 0
37 mol 171 unq 1 iso 1 dist 9.86681 13.7214 5.10618 9.0509 7.75632 11.8746 numMergedOcc 0
38 mol 194 unq 0 iso 0 dist 6.26839 8.0179 8.12346 11.1912 7.39369 6.11279 numMergedOcc 0
39 mol 194 unq 0 iso 1 dist 8.12346 8.0179 6.26839 6.11279 7.39369 11.1912 numMergedOcc 0
40 mol 194 unq 1 iso 0 dist 6.26839 14.6506 8.83356 11.1912 7.39369 9.99597 numMergedOcc 0
41 mol 194 unq 1 iso 1 dist 8.83356 14.6506 6.26839 9.99597 7.39369 11.1912 numMergedOcc 0
42 mol 194 unq 2 iso 0 dist 6.26839 8.48054 8.2654 11.1912 7.39369 9.50345 numMergedOcc 0
43 mol 194 unq 2 iso 1 dist 8.2654 8.48054 6.26839 9.50345 7.39369 11.1912 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 8.12346 13.5632 8.83356 6.11279 7.39369 9.99597 numMergedOcc 0
45 mol 194 unq 1 iso 1 dist 8.83356 13.5632 8.12346 9.99597 7.39369 6.11279 numMergedOcc 0
46 mol 194 unq 2 iso 0 dist 8.12346 6.26298 8.2654 6.11279 7.39369 9.50345 numMergedOcc 0
47 mol 194 unq 2 iso 1 dist 8.2654 6.26298 8.12346 9.50345 7.39369 6.11279 numMergedOcc 0
48 mol 194 unq 2 iso 0 dist 8.83356 11.6097 8.2654 9.99597 7.39369 9.50345 numMergedOcc 0
49 mol 194 unq 2 iso 1 dist 8.2654 11.6097 8.83356 9.50345 7.39369 9.99597 numMergedOcc 0
50 mol 205 unq 0 iso 0 dist 8.44861 7.38516 5.60393 12.2848 6.61806 9.41884 numMergedOcc 0
51 mol 205 unq 0 iso 1 dist 5.60393 7.38516 8.44861 9.41884 6.61806 12.2848 numMergedOcc 0
52 mol 205 unq 1 iso 0 dist 8.44861 7.38516 5.60393 9.73907 7.85966 12.3578 numMergedOcc 0
53 mol 205 unq 1 iso 1 dist 5.60393 7.38516 8.44861 12.3578 7.85966 9.73907 numMergedOcc 0
54 mol 214 unq 0 iso 0 dist 7.05523 12.7897 8.46327 3.7112 9.734 15.5459 numMergedOcc 0
55 mol 214 unq 0 iso 1 dist 8.46327 12.7897 7.05523 15.5459 9.734 3.7112 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 8.38865 5.22356 5.4694 6.21901 7.14633 6.29394 numMergedOcc 0
57 mol 227 unq 0 iso 1 dist 5.4694 5.22356 8.38865 6.29394 7.14633 6.21901 numMergedOcc 0
58 mol 227 unq 1 iso 0 dist 8.38865 5.22356 5.4694 13.798 9.94302 10.9445 numMergedOcc 0
59 mol 227 unq 1 iso 1 dist 5.4694 5.22356 8.38865 10.9445 9.94302 13.798 numMergedOcc 0
60 mol 230 unq 0 iso 0 dist 9.09271 5.53477 7.44838 15.5042 7.74885 11.3478 numMergedOcc 0
61 mol 230 unq 0 iso 1 dist 7.44838 5.53477 9.09271 11.3478 7.74885 15.5042 numMergedOcc 0
62 mol 240 unq 0 iso 0 dist 9.47583 4.28414 8.44909 11.6095 7.35934 11.9494 numMergedOcc 0
63 mol 240 unq 0 iso 1 dist 8.44909 4.28414 9.47583 11.9494 7.35934 11.6095 numMergedOcc 0
64 mol 252 unq 0 iso 0 dist 8.47784 13.2361 8.66469 7.15243 6.77555 7.18984 numMergedOcc 0
65 mol 252 unq 0 iso 1 dist 8.66469 13.2361 8.47784 7.18984 6.77555 7.15243 numMergedOcc 0
66 mol 258 unq 0 iso 0 dist 6.70815 7.26417 7.99477 9.34197 8.65191 8.40328 numMergedOcc 0
67 mol 258 unq 0 iso 1 dist 7.99477 7.26417 6.70815 8.40328 8.65191 9.34197 numMergedOcc 0
68 mol 261 unq 0 iso 0 dist 5.26434 7.00201 8.60026 7.83541 7.75255 14.5304 numMergedOcc 0
69 mol 261 unq 0 iso 1 dist 8.60026 7.00201 5.26434 14.5304 7.75255 7.83541 numMergedOcc 0
70 mol 261 unq 1 iso 0 dist 5.26434 7.00201 8.60026 10.6727 8.96013 16.5975 numMergedOcc 0
71 mol 261 unq 1 iso 1 dist 8.60026 7.00201 5.26434 16.5975 8.96013 10.6727 numMergedOcc 0
72 mol 276 unq 0 iso 0 dist 6.70215 5.41205 7.25423 13.6248 9.2211 13.7566 numMergedOcc 0
73 mol 276 unq 0 iso 1 dist 7.25423 5.41205 6.70215 13.7566 9.2211 13.6248 numMergedOcc 0
74 mol 276 unq 1 iso 0 dist 6.70215 10.6102 7.88706 13.6248 9.2211 13.2807 numMergedOcc 0
75 mol 276 unq 1 iso 1 dist 7.88706 10.6102 6.70215 13.2807 9.2211 13.6248 numMergedOcc 0
76 mol 276 unq 2 iso 0 dist 6.70215 8.62129 7.23916 13.6248 9.2211 6.04845 numMergedOcc 0
77 mol 276 unq 2 iso 1 dist 7.23916 8.62129 6.70215 6.04845 9.2211 13.6248 numMergedOcc 0
78 mol 276 unq 1 iso 0 dist 7.25423 6.19843 7.88706 13.7566 9.2211 13.2807 numMergedOcc 0
79 mol 276 unq 1 iso 1 dist 7.88706 6.19843 7.25423 13.2807 9.2211 13.7566 numMergedOcc 0
80 mol 276 unq 2 iso 0 dist 7.25423 10.1636 7.23916 13.7566 9.2211 6.04845 numMergedOcc 0
81 mol 276 unq 2 iso 1 dist 7.23916 10.1636 7.25423 6.04845 9.2211 13.7566 numMergedOcc 0
82 mol 276 unq 2 iso 0 dist 7.88706 12.4616 7.23916 13.2807 9.2211 6.04845 numMergedOcc 0
83 mol 276 unq 2 iso 1 dist 7.23916 12.4616 7.88706 6.04845 9.2211 13.2807 numMergedOcc 0
84 mol 278 unq 0 iso 0 dist 7.67245 5.74345 9.12395 7.0588 7.92718 3.65013 numMergedOcc 0
85 mol 278 unq 0 iso 1 dist 9.12395 5.74345 7.67245 3.65013 7.92718 7.0588 numMergedOcc 0
