0 mol 11 unq 0 iso 0 dist 9.81983 9.74251 9.89425 6.51674 6.83186 12.0683 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.37118 10.3779 6.52283 8.00615 4.75881 3.41186 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.11491 8.23404 7.78689 11.6319 8.22812 9.26377 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.11491 8.23404 7.78689 5.39812 4.22002 4.88527 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.11491 8.23404 7.78689 8.55482 5.77855 4.76279 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 7.11491 8.23404 7.78689 3.59761 8.10774 5.56357 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 7.11491 8.23404 7.78689 3.50984 6.5241 9.94951 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 5.82264 5.50677 7.7927 6.30002 5.37439 4.10953 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 5.82264 5.50677 7.7927 9.72383 8.3714 5.70353 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 5.82264 5.50677 7.7927 11.5388 6.36817 11.246 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 5.82264 3.90503 6.17378 6.30002 5.37439 5.46483 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 5.82264 3.90503 6.17378 9.72383 8.3714 7.86518 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 5.82264 3.90503 6.17378 11.5388 6.36817 9.92075 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 8.56365 11.8248 7.7927 11.2833 5.37439 4.10953 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 8.56365 11.8248 7.7927 12.3471 8.3714 5.70353 numMergedOcc 0
15 mol 48 unq 13 iso 0 dist 8.56365 11.8248 7.7927 6.34854 6.36817 11.246 numMergedOcc 0
16 mol 48 unq 14 iso 0 dist 8.56365 9.10288 6.17378 11.2833 5.37439 5.46483 numMergedOcc 0
17 mol 48 unq 15 iso 0 dist 8.56365 9.10288 6.17378 12.3471 8.3714 7.86518 numMergedOcc 0
18 mol 48 unq 16 iso 0 dist 8.56365 9.10288 6.17378 6.34854 6.36817 9.92075 numMergedOcc 0
19 mol 48 unq 17 iso 0 dist 7.1829 8.13327 7.70645 3.60121 8.14245 5.43784 numMergedOcc 0
20 mol 48 unq 18 iso 0 dist 7.1829 8.13327 7.70645 3.65036 6.36817 9.7018 numMergedOcc 0
21 mol 48 unq 19 iso 0 dist 7.1829 8.13327 7.70645 11.611 8.0812 8.95384 numMergedOcc 0
22 mol 48 unq 20 iso 0 dist 7.1829 8.13327 7.70645 5.37655 4.17933 4.57947 numMergedOcc 0
23 mol 48 unq 21 iso 0 dist 7.1829 8.13327 7.70645 8.48119 5.54893 4.60843 numMergedOcc 0
24 mol 68 unq 0 iso 0 dist 9.87699 5.75753 8.71074 3.56619 7.7485 7.18877 numMergedOcc 0
25 mol 79 unq 0 iso 0 dist 6.2576 4.03842 7.92114 4.37918 4.15789 4.69555 numMergedOcc 0
26 mol 79 unq 1 iso 0 dist 6.2576 3.81317 8.18375 4.37918 4.15789 6.49084 numMergedOcc 0
27 mol 79 unq 2 iso 0 dist 8.96069 10.6312 7.92114 9.08423 4.15789 4.69555 numMergedOcc 0
28 mol 79 unq 3 iso 0 dist 8.96069 4.08868 8.18375 9.08423 4.15789 6.49084 numMergedOcc 0
29 mol 79 unq 4 iso 0 dist 7.56495 9.78235 7.92114 6.29733 4.15789 4.69555 numMergedOcc 0
30 mol 79 unq 5 iso 0 dist 7.56495 6.06691 8.18375 6.29733 4.15789 6.49084 numMergedOcc 0
31 mol 79 unq 6 iso 0 dist 7.38548 6.0749 4.74254 5.79629 6.20144 7.19532 numMergedOcc 0
32 mol 83 unq 0 iso 0 dist 8.99451 10.5584 5.35861 8.98065 7.50925 3.62753 numMergedOcc 0
33 mol 83 unq 1 iso 0 dist 8.99451 10.5584 5.35861 13.9971 6.96722 3.65203 numMergedOcc 0
34 mol 85 unq 0 iso 0 dist 9.13593 10.797 4.29937 13.6534 6.67137 3.65186 numMergedOcc 0
35 mol 85 unq 1 iso 0 dist 9.13593 10.797 4.29937 3.93938 9.78707 12.2971 numMergedOcc 0
36 mol 85 unq 2 iso 0 dist 9.13593 7.04693 3.65628 13.6534 6.67137 7.00044 numMergedOcc 0
37 mol 85 unq 3 iso 0 dist 9.13593 7.04693 3.65628 3.93938 9.78707 8.64367 numMergedOcc 0
38 mol 85 unq 4 iso 0 dist 9.13593 6.7475 9.77774 13.6534 6.67137 16.1804 numMergedOcc 0
39 mol 85 unq 5 iso 0 dist 9.13593 6.7475 9.77774 3.93938 9.78707 3.21259 numMergedOcc 0
40 mol 85 unq 6 iso 0 dist 8.25144 10.797 5.37869 9.66391 7.07839 10.0372 numMergedOcc 0
41 mol 85 unq 7 iso 0 dist 8.25144 10.797 5.37869 13.6534 7.04244 3.65186 numMergedOcc 0
42 mol 85 unq 8 iso 0 dist 8.25144 10.797 5.37869 11.6517 7.91193 11.7094 numMergedOcc 0
43 mol 85 unq 9 iso 0 dist 8.25144 10.797 5.37869 3.93938 9.63449 12.2971 numMergedOcc 0
44 mol 85 unq 10 iso 0 dist 8.25144 10.797 5.37869 15.6454 9.09711 11.8779 numMergedOcc 0
45 mol 85 unq 11 iso 0 dist 8.25144 7.04693 4.05415 9.66391 7.07839 8.78995 numMergedOcc 0
46 mol 85 unq 12 iso 0 dist 8.25144 7.04693 4.05415 13.6534 7.04244 7.00044 numMergedOcc 0
47 mol 85 unq 13 iso 0 dist 8.25144 7.04693 4.05415 11.6517 7.91193 10.7591 numMergedOcc 0
48 mol 85 unq 14 iso 0 dist 8.25144 7.04693 4.05415 3.93938 9.63449 8.64367 numMergedOcc 0
49 mol 85 unq 15 iso 0 dist 8.25144 7.04693 4.05415 15.6454 9.09711 12.4835 numMergedOcc 0
50 mol 85 unq 16 iso 0 dist 8.25144 6.7475 9.97944 9.66391 7.07839 14.2664 numMergedOcc 0
51 mol 85 unq 17 iso 0 dist 8.25144 6.7475 9.97944 13.6534 7.04244 16.1804 numMergedOcc 0
52 mol 85 unq 18 iso 0 dist 8.25144 6.7475 9.97944 11.6517 7.91193 15.1209 numMergedOcc 0
53 mol 85 unq 19 iso 0 dist 8.25144 6.7475 9.97944 3.93938 9.63449 3.21259 numMergedOcc 0
54 mol 85 unq 20 iso 0 dist 8.25144 6.7475 9.97944 15.6454 9.09711 17.9023 numMergedOcc 0
55 mol 101 unq 0 iso 0 dist 9.44645 14.6961 9.33112 13.0976 8.19144 7.5541 numMergedOcc 0
56 mol 107 unq 0 iso 0 dist 7.89505 3.79393 9.09262 8.49625 8.19484 5.88785 numMergedOcc 0
57 mol 113 unq 0 iso 0 dist 5.35711 3.84573 4.30875 3.52111 7.02358 3.52445 numMergedOcc 0
58 mol 123 unq 0 iso 0 dist 7.30244 10.9073 4.14492 7.88813 5.56127 8.42496 numMergedOcc 0
59 mol 123 unq 1 iso 0 dist 7.30244 10.9073 4.14492 4.10526 8.03692 10.3919 numMergedOcc 0
60 mol 123 unq 2 iso 0 dist 7.30244 10.9073 4.14492 12.6384 5.36214 3.3389 numMergedOcc 0
61 mol 131 unq 0 iso 0 dist 8.47526 6.11089 8.49847 4.60864 7.53342 6.95147 numMergedOcc 0
62 mol 143 unq 0 iso 0 dist 7.2932 4.06908 6.60366 4.5497 4.3855 5.94217 numMergedOcc 0
63 mol 168 unq 0 iso 0 dist 6.12453 12.6805 7.0961 8.8681 5.86767 6.06538 numMergedOcc 0
64 mol 168 unq 1 iso 0 dist 6.12453 12.6805 7.0961 3.73181 5.28353 10.919 numMergedOcc 0
65 mol 168 unq 2 iso 0 dist 6.12453 4.02702 8.21227 8.8681 5.86767 9.99868 numMergedOcc 0
66 mol 168 unq 3 iso 0 dist 6.12453 4.02702 8.21227 3.73181 5.28353 6.91388 numMergedOcc 0
67 mol 168 unq 4 iso 0 dist 6.12453 7.61798 6.53038 8.8681 5.86767 10.7133 numMergedOcc 0
68 mol 168 unq 5 iso 0 dist 6.12453 7.61798 6.53038 3.73181 5.28353 6.65321 numMergedOcc 0
69 mol 169 unq 0 iso 0 dist 5.41121 3.95773 4.11374 3.83687 6.96715 3.59996 numMergedOcc 0
70 mol 169 unq 1 iso 0 dist 7.85698 7.40692 7.65903 6.28646 5.10589 3.18152 numMergedOcc 0
71 mol 169 unq 2 iso 0 dist 6.35799 9.68109 7.65903 7.83748 5.10589 3.18152 numMergedOcc 0
72 mol 169 unq 3 iso 0 dist 9.84538 8.86736 8.6961 14.1141 5.10589 9.60496 numMergedOcc 0
73 mol 169 unq 4 iso 0 dist 9.84538 8.86736 8.6961 13.1539 4.63336 10.5251 numMergedOcc 0
74 mol 169 unq 5 iso 0 dist 9.84538 8.86736 8.6961 11.6489 6.10715 8.67112 numMergedOcc 0
75 mol 186 unq 0 iso 0 dist 9.31569 10.6999 8.92135 9.73374 7.25595 14.4913 numMergedOcc 0
76 mol 186 unq 1 iso 0 dist 9.31569 10.6999 8.92135 7.47658 9.94825 5.43612 numMergedOcc 0
77 mol 186 unq 2 iso 0 dist 8.72743 6.18065 8.92135 14.2269 7.25595 14.4913 numMergedOcc 0
78 mol 186 unq 3 iso 0 dist 8.72743 6.18065 8.92135 9.76301 9.94825 5.43612 numMergedOcc 0
79 mol 213 unq 0 iso 0 dist 8.59946 8.99471 9.02881 6.78109 9.71831 14.4808 numMergedOcc 0
80 mol 214 unq 0 iso 0 dist 5.05626 3.94038 8.49349 6.28944 8.66082 4.84709 numMergedOcc 0
81 mol 214 unq 1 iso 0 dist 8.41013 3.94038 6.50654 6.28944 7.96338 4.84709 numMergedOcc 0
82 mol 214 unq 2 iso 0 dist 8.41013 3.94038 6.50654 7.23583 7.42759 4.16963 numMergedOcc 0
83 mol 254 unq 0 iso 0 dist 9.31434 3.91259 5.6417 11.0708 7.85841 8.8967 numMergedOcc 0
84 mol 254 unq 1 iso 0 dist 9.31434 3.91259 5.6417 13.4911 9.20109 10.929 numMergedOcc 0
85 mol 254 unq 2 iso 0 dist 9.31434 5.53173 7.42831 11.0708 7.85841 9.42679 numMergedOcc 0
86 mol 254 unq 3 iso 0 dist 9.31434 5.53173 7.42831 13.4911 9.20109 10.706 numMergedOcc 0
87 mol 256 unq 0 iso 0 dist 4.36333 4.10994 7.32564 5.59732 5.58222 4.96861 numMergedOcc 0
88 mol 256 unq 1 iso 0 dist 6.96483 3.90666 7.32564 3.96807 5.58222 4.96861 numMergedOcc 0
89 mol 285 unq 0 iso 0 dist 8.79261 6.3633 4.27826 8.78384 5.88958 3.14843 numMergedOcc 0
90 mol 285 unq 1 iso 0 dist 9.99125 6.3633 5.82074 8.78384 7.78121 3.14843 numMergedOcc 0
91 mol 287 unq 0 iso 0 dist 9.25759 5.97664 4.93516 5.39801 4.68668 3.66473 numMergedOcc 0
92 mol 288 unq 0 iso 0 dist 9.25759 5.97664 4.93516 5.39801 4.68668 3.66473 numMergedOcc 0
93 mol 289 unq 0 iso 0 dist 9.25759 5.97664 4.93516 5.39801 4.68668 3.66473 numMergedOcc 0
