0 mol 0 unq 0 iso 0 dist 7.65806 9.19007 9.64573 7.02374 12.7627 7.92928 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.6994 6.26831 6.34883 10.3034 10.9812 7.48645 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.15528 6.26831 9.19662 10.3034 14.3013 7.48645 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 12.2708 10.672 9.55056 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 8.41585 7.88043 10.2446 6.06176 6.36911 7.45262 numMergedOcc 0
5 mol 7 unq 2 iso 0 dist 8.41585 8.80762 12.3097 12.2708 10.672 7.57354 numMergedOcc 0
6 mol 7 unq 3 iso 0 dist 8.41585 8.80762 12.3097 6.06176 6.36911 6.96586 numMergedOcc 0
7 mol 7 unq 4 iso 0 dist 7.10621 5.72491 5.44992 10.789 7.31201 9.55056 numMergedOcc 0
8 mol 7 unq 5 iso 0 dist 7.10621 5.72491 5.44992 10.515 9.36807 7.45262 numMergedOcc 0
9 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 12.8924 14.7292 8.94096 numMergedOcc 0
10 mol 8 unq 1 iso 0 dist 8.96553 7.3915 7.43529 4.85329 10.2611 9.07858 numMergedOcc 0
11 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 5.60154 8.47421 8.04924 numMergedOcc 0
12 mol 16 unq 0 iso 0 dist 7.63133 6.56335 10.454 6.73355 13.0191 7.40724 numMergedOcc 0
13 mol 16 unq 1 iso 0 dist 5.46498 6.56335 6.70071 6.73355 8.41862 7.40724 numMergedOcc 0
14 mol 16 unq 2 iso 0 dist 8.71745 6.56335 4.50891 6.73355 8.16785 7.40724 numMergedOcc 0
15 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 5.39241 9.75144 8.62284 numMergedOcc 0
16 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 5.39241 12.4274 8.62284 numMergedOcc 0
17 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 4.70708 9.43699 8.5404 numMergedOcc 0
18 mol 26 unq 0 iso 0 dist 8.34347 5.69955 10.6756 9.87119 17.2621 7.61055 numMergedOcc 0
19 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 10.9467 11.5915 5.86571 numMergedOcc 0
20 mol 94 unq 0 iso 0 dist 7.89459 9.97569 5.60279 11.997 10.3578 5.18655 numMergedOcc 0
21 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 6.72991 11.6597 7.82011 numMergedOcc 0
22 mol 112 unq 1 iso 0 dist 9.60462 9.92283 17.3924 8.57646 17.7547 7.82011 numMergedOcc 0
23 mol 114 unq 0 iso 0 dist 7.5732 6.34525 11.128 5.31367 12.383 8.06525 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 11.7126 11.695 9.9928 numMergedOcc 0
25 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 11.7126 13.9977 9.9928 numMergedOcc 0
26 mol 115 unq 2 iso 0 dist 7.88312 5.72642 7.3094 11.7126 6.99777 9.9928 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 10.0197 14.0269 9.87025 numMergedOcc 0
28 mol 119 unq 1 iso 0 dist 8.73993 8.56342 4.91132 10.6679 9.63176 5.85818 numMergedOcc 0
29 mol 119 unq 2 iso 0 dist 9.87172 7.99857 7.61939 6.35763 6.19042 9.87025 numMergedOcc 0
30 mol 119 unq 3 iso 0 dist 9.87172 7.99857 7.61939 7.36192 7.44174 5.85818 numMergedOcc 0
31 mol 120 unq 0 iso 0 dist 8.75408 8.93905 7.27181 8.94259 12.865 8.43028 numMergedOcc 0
32 mol 120 unq 1 iso 0 dist 6.44653 8.93905 10.5192 8.94259 13.6677 8.43028 numMergedOcc 0
33 mol 130 unq 0 iso 0 dist 8.70949 8.33077 5.97111 8.84655 6.89257 6.42785 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 7.12972 6.92648 9.32969 4.89973 11.0153 9.39683 numMergedOcc 0
35 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 7.00551 11.0153 9.39683 numMergedOcc 0
36 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 5.44503 9.93541 6.40901 numMergedOcc 0
37 mol 143 unq 1 iso 0 dist 5.99315 7.63338 12.8872 6.01455 9.27292 8.1582 numMergedOcc 0
38 mol 143 unq 2 iso 0 dist 5.99315 7.63338 12.8872 5.44503 9.93541 9.40626 numMergedOcc 0
39 mol 143 unq 3 iso 0 dist 5.99315 7.25673 9.23795 6.01455 9.27292 7.88655 numMergedOcc 0
40 mol 156 unq 0 iso 0 dist 8.34702 7.73169 5.71107 5.07967 10.7757 7.04913 numMergedOcc 0
41 mol 156 unq 1 iso 0 dist 8.34702 9.43259 6.44255 13.2847 13.0488 6.87906 numMergedOcc 0
42 mol 156 unq 2 iso 0 dist 8.34702 9.43259 6.44255 5.97294 10.0526 7.94975 numMergedOcc 0
43 mol 156 unq 3 iso 0 dist 8.34702 9.43259 6.44255 16.5051 14.6135 8.49473 numMergedOcc 0
44 mol 156 unq 4 iso 0 dist 8.34702 9.43259 6.44255 13.6496 9.38246 9.39865 numMergedOcc 0
45 mol 156 unq 5 iso 0 dist 8.34702 6.2319 5.82636 13.2847 13.0488 9.54367 numMergedOcc 0
46 mol 156 unq 6 iso 0 dist 8.34702 6.2319 5.82636 5.97294 10.0526 7.26859 numMergedOcc 0
47 mol 156 unq 7 iso 0 dist 9.06726 7.73169 11.2067 5.07967 13.5803 7.04913 numMergedOcc 0
48 mol 156 unq 8 iso 0 dist 9.06726 9.97732 5.82636 14.42 13.0488 9.54367 numMergedOcc 0
49 mol 156 unq 9 iso 0 dist 9.06726 9.97732 5.82636 6.53729 10.0526 7.26859 numMergedOcc 0
50 mol 156 unq 10 iso 0 dist 8.33171 7.73169 9.44399 5.07967 11.7927 7.04913 numMergedOcc 0
51 mol 175 unq 0 iso 0 dist 9.29945 7.35824 12.5754 11.1651 15.9448 7.01126 numMergedOcc 0
52 mol 175 unq 1 iso 0 dist 9.29945 9.17364 10.0424 11.1651 15.9448 6.58434 numMergedOcc 0
53 mol 178 unq 0 iso 0 dist 6.69288 4.92088 10.1489 5.25267 10.5498 5.98771 numMergedOcc 0
54 mol 178 unq 1 iso 0 dist 6.43573 4.92088 8.27339 5.25267 11.4139 5.98771 numMergedOcc 0
55 mol 178 unq 2 iso 0 dist 7.17202 4.92088 9.79302 5.25267 10.2288 5.98771 numMergedOcc 0
56 mol 178 unq 3 iso 0 dist 8.81551 4.92088 8.65097 5.25267 11.4815 5.98771 numMergedOcc 0
57 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 5.4601 10.2276 7.345 numMergedOcc 0
58 mol 181 unq 1 iso 0 dist 9.1374 6.51749 13.8722 10.0524 10.7636 9.52987 numMergedOcc 0
59 mol 181 unq 2 iso 0 dist 5.98885 6.51749 5.93488 5.4601 7.20046 7.345 numMergedOcc 0
60 mol 181 unq 3 iso 0 dist 5.98885 6.51749 5.93488 10.0524 7.13543 9.52987 numMergedOcc 0
61 mol 181 unq 4 iso 0 dist 9.09537 7.20392 5.93488 6.14208 7.20046 7.345 numMergedOcc 0
62 mol 181 unq 5 iso 0 dist 9.09537 7.20392 5.93488 5.95965 7.13543 9.52987 numMergedOcc 0
63 mol 181 unq 6 iso 0 dist 9.15386 6.51749 7.64267 5.4601 11.968 7.345 numMergedOcc 0
64 mol 181 unq 7 iso 0 dist 9.15386 6.51749 7.64267 10.0524 11.8099 9.52987 numMergedOcc 0
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66 mol 192 unq 1 iso 0 dist 7.00794 7.24199 8.51255 5.71262 12.1647 8.53433 numMergedOcc 0
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68 mol 205 unq 1 iso 0 dist 7.26832 5.60393 5.28092 6.23291 9.19704 5.42696 numMergedOcc 0
69 mol 214 unq 0 iso 0 dist 9.65138 6.38157 7.38025 6.67959 10.852 5.10114 numMergedOcc 0
70 mol 214 unq 1 iso 0 dist 7.14453 6.38157 9.35273 6.67959 12.6888 5.10114 numMergedOcc 0
71 mol 214 unq 2 iso 0 dist 8.85478 6.38157 5.63388 6.67959 7.46831 5.10114 numMergedOcc 0
72 mol 214 unq 3 iso 0 dist 8.82096 8.46327 10.2399 10.7373 12.3623 7.2498 numMergedOcc 0
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74 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 9.60993 12.9493 9.20589 numMergedOcc 0
75 mol 227 unq 2 iso 0 dist 7.22101 8.38865 11.0628 13.3557 12.3856 7.89801 numMergedOcc 0
76 mol 227 unq 3 iso 0 dist 7.22101 8.03442 10.5813 6.43754 8.17891 7.1372 numMergedOcc 0
77 mol 227 unq 4 iso 0 dist 8.65997 5.4694 11.0628 5.34702 12.9493 9.20589 numMergedOcc 0
78 mol 227 unq 5 iso 0 dist 8.65997 5.4694 11.0628 8.8709 12.3856 7.89801 numMergedOcc 0
79 mol 227 unq 6 iso 0 dist 8.65997 8.03442 7.22396 6.43754 6.95902 7.1372 numMergedOcc 0
80 mol 227 unq 7 iso 0 dist 7.56888 8.03442 6.10296 6.43754 11.004 7.1372 numMergedOcc 0
81 mol 227 unq 8 iso 0 dist 7.55216 8.03442 9.69537 6.43754 12.8864 7.1372 numMergedOcc 0
82 mol 227 unq 9 iso 0 dist 7.09863 8.38865 12.9587 9.60993 15.4174 9.20589 numMergedOcc 0
83 mol 227 unq 10 iso 0 dist 7.09863 8.38865 12.9587 13.3557 16.1617 7.89801 numMergedOcc 0
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85 mol 238 unq 1 iso 0 dist 6.22714 5.64181 10.216 10.4664 10.5202 8.6597 numMergedOcc 0
86 mol 238 unq 2 iso 0 dist 6.22714 5.64181 10.216 11.2717 12.1784 7.47235 numMergedOcc 0
87 mol 238 unq 3 iso 0 dist 6.22714 5.64181 10.216 5.17471 7.49471 6.44735 numMergedOcc 0
88 mol 238 unq 4 iso 0 dist 6.22714 5.64181 10.216 5.03393 10.9946 5.91208 numMergedOcc 0
89 mol 238 unq 5 iso 0 dist 7.31233 5.64181 7.83352 10.4664 6.55759 8.6597 numMergedOcc 0
90 mol 238 unq 6 iso 0 dist 7.31233 5.64181 7.83352 11.2717 7.02475 7.47235 numMergedOcc 0
91 mol 238 unq 7 iso 0 dist 7.31233 5.64181 7.83352 5.17471 7.19008 6.44735 numMergedOcc 0
92 mol 238 unq 8 iso 0 dist 7.31233 5.64181 7.83352 5.03393 11.3465 5.91208 numMergedOcc 0
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94 mol 248 unq 1 iso 0 dist 7.69895 6.17052 5.99459 6.48757 6.07192 8.53148 numMergedOcc 0
95 mol 248 unq 2 iso 0 dist 7.21521 9.77666 5.99459 5.51827 6.07192 8.53148 numMergedOcc 0
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97 mol 252 unq 1 iso 0 dist 8.1148 8.47784 5.89666 4.23801 7.66365 5.2361 numMergedOcc 0
98 mol 252 unq 2 iso 0 dist 8.1148 8.47784 5.89666 13.6996 10.765 5.57515 numMergedOcc 0
99 mol 252 unq 3 iso 0 dist 8.1148 8.47784 5.89666 15.4395 13.5038 8.28694 numMergedOcc 0
100 mol 252 unq 4 iso 0 dist 8.1715 6.11473 5.72783 4.23801 10.165 6.57207 numMergedOcc 0
101 mol 252 unq 5 iso 0 dist 8.1715 8.47784 10.672 4.23801 10.165 5.2361 numMergedOcc 0
102 mol 252 unq 6 iso 0 dist 8.1715 8.47784 10.672 13.6996 15.0802 5.57515 numMergedOcc 0
103 mol 252 unq 7 iso 0 dist 8.1715 8.47784 10.672 15.4395 18.7608 8.28694 numMergedOcc 0
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105 mol 259 unq 1 iso 0 dist 5.30224 8.59697 7.31951 5.31048 8.37865 6.39918 numMergedOcc 0
106 mol 261 unq 0 iso 0 dist 9.14619 5.26434 6.04016 7.49174 7.47164 9.24121 numMergedOcc 0
107 mol 261 unq 1 iso 0 dist 8.45658 8.60026 6.04016 5.22253 7.47164 9.24121 numMergedOcc 0
108 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 12.3807 21.0973 9.42738 numMergedOcc 0
109 mol 272 unq 0 iso 0 dist 8.48753 9.05222 6.59863 5.7074 10.597 7.35433 numMergedOcc 0
110 mol 272 unq 1 iso 0 dist 9.97651 9.64269 4.86504 4.72202 6.16449 7.55161 numMergedOcc 0
111 mol 272 unq 2 iso 0 dist 8.33638 8.46061 8.7909 8.52877 10.1966 7.55161 numMergedOcc 0
112 mol 272 unq 3 iso 0 dist 8.46116 8.46061 4.86504 8.52877 6.16449 7.55161 numMergedOcc 0
113 mol 294 unq 0 iso 0 dist 8.15665 9.13907 5.25615 6.17102 9.03492 8.32473 numMergedOcc 0
