0 mol 0 unq 0 iso 0 dist 7.65806 9.19007 9.64573 6.91778 9.15528 14.0232 7.02374 12.7627 7.92928 13.4647 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.6994 6.26831 6.34883 7.40865 9.11323 5.73813 10.3034 10.9812 7.48645 12.9702 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.15528 6.26831 9.19662 7.40865 9.46298 5.73813 10.3034 14.3013 7.48645 12.9702 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 5.99972 12.0193 7.25346 12.2708 10.672 9.55056 15.5696 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 8.41585 7.88043 10.2446 5.99972 12.0193 7.25346 6.06176 6.36911 7.45262 10.6471 numMergedOcc 0
5 mol 7 unq 2 iso 0 dist 8.41585 8.80762 12.3097 5.99972 12.0193 10.0658 12.2708 10.672 7.57354 15.5696 numMergedOcc 0
6 mol 7 unq 3 iso 0 dist 8.41585 8.80762 12.3097 5.99972 12.0193 10.0658 6.06176 6.36911 6.96586 10.6471 numMergedOcc 0
7 mol 7 unq 4 iso 0 dist 7.10621 5.72491 5.44992 8.72114 13.8829 10.1959 10.789 7.31201 9.55056 13.6379 numMergedOcc 0
8 mol 7 unq 5 iso 0 dist 7.10621 5.72491 5.44992 8.72114 13.8829 10.1959 10.515 9.36807 7.45262 9.97624 numMergedOcc 0
9 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 8.53529 4.36226 5.65816 12.8924 14.7292 8.94096 14.4294 numMergedOcc 0
10 mol 8 unq 1 iso 0 dist 8.96553 7.3915 7.43529 8.53529 4.36226 5.65816 4.85329 10.2611 9.07858 11.4415 numMergedOcc 0
11 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 9.62394 9.5997 7.28672 5.60154 8.47421 8.04924 9.57198 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 9.41441 6.66749 11.9395 5.39241 9.75144 8.62284 13.2857 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 9.41441 14.012 11.9395 5.39241 12.4274 8.62284 13.2857 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 7.45383 7.33728 11.7817 4.70708 9.43699 8.5404 10.7875 numMergedOcc 0
15 mol 25 unq 1 iso 0 dist 5.04899 6.6492 9.20601 9.01548 13.9331 9.12941 4.70708 9.43699 8.5404 6.63839 numMergedOcc 0
16 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 7.16773 6.63327 8.25666 10.9467 11.5915 5.86571 12.9373 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 7.5732 6.34525 11.128 6.84011 7.436 8.51024 5.31367 12.383 8.06525 8.809 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 6.52773 7.20179 6.96805 10.0197 14.0269 9.87025 11.1099 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 8.73993 8.56342 4.91132 6.52773 7.20179 6.96805 10.6679 9.63176 5.85818 11.8717 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 8.73993 8.56342 4.91132 9.23858 9.89358 13.3975 10.0197 14.0269 9.87025 18.7646 numMergedOcc 0
21 mol 119 unq 3 iso 0 dist 8.73993 8.56342 4.91132 9.23858 9.89358 13.3975 10.6679 9.63176 5.85818 15.8603 numMergedOcc 0
22 mol 119 unq 4 iso 0 dist 9.87172 7.99857 7.61939 9.11344 10.9441 6.96805 6.35763 6.19042 9.87025 11.1099 numMergedOcc 0
23 mol 119 unq 5 iso 0 dist 9.87172 7.99857 7.61939 9.11344 10.9441 6.96805 7.36192 7.44174 5.85818 11.8717 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 6.85062 9.29384 9.32969 8.70296 14.2045 10.8127 7.00551 11.0153 9.39683 10.9721 numMergedOcc 0
25 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 9.25558 5.09131 11.2516 7.00551 11.0153 9.39683 14.9787 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 7.78652 6.48978 15.0801 5.44503 9.93541 6.40901 13.204 numMergedOcc 0
27 mol 143 unq 1 iso 0 dist 5.99315 8.41611 12.7056 8.91301 5.20762 15.0315 5.44503 9.93541 6.40901 13.8861 numMergedOcc 0
28 mol 143 unq 2 iso 0 dist 5.99315 7.63338 12.8872 7.78652 6.48978 11.5146 6.01455 9.27292 8.1582 6.46089 numMergedOcc 0
29 mol 143 unq 3 iso 0 dist 5.99315 7.63338 12.8872 7.78652 6.48978 11.5146 5.44503 9.93541 9.40626 13.204 numMergedOcc 0
30 mol 143 unq 4 iso 0 dist 5.99315 7.63338 12.8872 8.91301 5.20762 13.434 6.01455 9.27292 8.1582 10.1154 numMergedOcc 0
31 mol 143 unq 5 iso 0 dist 5.99315 7.63338 12.8872 8.91301 5.20762 13.434 5.44503 9.93541 9.40626 13.8861 numMergedOcc 0
32 mol 143 unq 6 iso 0 dist 5.99315 7.25673 9.23795 7.78652 6.48978 6.60479 6.01455 9.27292 7.88655 6.46089 numMergedOcc 0
33 mol 143 unq 7 iso 0 dist 5.99315 7.25673 9.23795 8.91301 5.20762 7.54337 6.01455 9.27292 7.88655 10.1154 numMergedOcc 0
34 mol 156 unq 0 iso 0 dist 8.34702 7.73169 5.71107 7.30357 10.4977 8.40261 5.07967 10.7757 7.04913 7.30946 numMergedOcc 0
35 mol 156 unq 1 iso 0 dist 8.34702 7.73169 5.71107 8.61587 12.4274 12.8796 5.07967 10.7757 7.04913 11.3161 numMergedOcc 0
36 mol 156 unq 2 iso 0 dist 9.06726 7.73169 11.2067 7.30357 12.3086 8.40261 5.07967 13.5803 7.04913 7.30946 numMergedOcc 0
37 mol 156 unq 3 iso 0 dist 9.06726 7.73169 11.2067 8.61587 10.9151 12.8796 5.07967 13.5803 7.04913 11.3161 numMergedOcc 0
38 mol 156 unq 4 iso 0 dist 8.33171 7.73169 9.44399 7.30357 7.79535 8.40261 5.07967 11.7927 7.04913 7.30946 numMergedOcc 0
39 mol 156 unq 5 iso 0 dist 8.33171 7.73169 9.44399 8.61587 6.98125 12.8796 5.07967 11.7927 7.04913 11.3161 numMergedOcc 0
40 mol 175 unq 0 iso 0 dist 9.29945 7.35824 12.5754 9.39352 7.27408 10.3786 11.1651 15.9448 7.01126 16.3661 numMergedOcc 0
41 mol 175 unq 1 iso 0 dist 9.29945 9.17364 10.0424 9.39352 7.27408 11.9672 11.1651 15.9448 6.58434 16.3661 numMergedOcc 0
42 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 8.90963 8.91338 13.0913 5.4601 10.2276 7.345 13.6646 numMergedOcc 0
43 mol 181 unq 1 iso 0 dist 9.1374 6.51749 13.8722 8.90963 8.91338 13.0913 10.0524 10.7636 9.52987 15.9219 numMergedOcc 0
44 mol 181 unq 2 iso 0 dist 5.98885 6.51749 5.93488 8.90963 9.81073 13.0913 5.4601 7.20046 7.345 13.6646 numMergedOcc 0
45 mol 181 unq 3 iso 0 dist 5.98885 6.51749 5.93488 8.90963 9.81073 13.0913 10.0524 7.13543 9.52987 15.9219 numMergedOcc 0
46 mol 181 unq 4 iso 0 dist 9.15386 6.51749 7.64267 8.90963 9.34211 13.0913 5.4601 11.968 7.345 13.6646 numMergedOcc 0
47 mol 181 unq 5 iso 0 dist 9.15386 6.51749 7.64267 8.90963 9.34211 13.0913 10.0524 11.8099 9.52987 15.9219 numMergedOcc 0
48 mol 192 unq 0 iso 0 dist 5.59424 7.24199 7.0057 8.77999 8.49529 3.86183 5.71262 8.36822 8.53433 7.33225 numMergedOcc 0
49 mol 192 unq 1 iso 0 dist 7.00794 7.24199 8.51255 8.77999 11.7523 3.86183 5.71262 12.1647 8.53433 7.33225 numMergedOcc 0
50 mol 205 unq 0 iso 0 dist 7.26832 5.60393 5.28092 5.44002 10.3603 8.46033 6.23291 9.19704 5.42696 10.5073 numMergedOcc 0
51 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 7.43071 6.00424 12.8075 6.43754 12.4085 7.1372 12.2922 numMergedOcc 0
52 mol 227 unq 1 iso 0 dist 9.34734 8.03442 10.2525 5.41321 10.7656 4.59123 6.43754 12.4085 7.1372 7.57454 numMergedOcc 0
53 mol 227 unq 2 iso 0 dist 7.22101 8.03442 10.5813 7.43071 6.35849 12.8075 6.43754 8.17891 7.1372 12.2922 numMergedOcc 0
54 mol 227 unq 3 iso 0 dist 7.22101 8.03442 10.5813 5.41321 10.9607 4.59123 6.43754 8.17891 7.1372 7.57454 numMergedOcc 0
55 mol 227 unq 4 iso 0 dist 8.65997 8.03442 7.22396 7.43071 10.204 12.8075 6.43754 6.95902 7.1372 12.2922 numMergedOcc 0
56 mol 227 unq 5 iso 0 dist 8.65997 8.03442 7.22396 5.41321 9.72615 4.59123 6.43754 6.95902 7.1372 7.57454 numMergedOcc 0
57 mol 227 unq 6 iso 0 dist 7.56888 8.03442 6.10296 7.43071 9.76735 12.8075 6.43754 11.004 7.1372 12.2922 numMergedOcc 0
58 mol 227 unq 7 iso 0 dist 7.56888 8.03442 6.10296 5.41321 5.10635 4.59123 6.43754 11.004 7.1372 7.57454 numMergedOcc 0
59 mol 227 unq 8 iso 0 dist 7.55216 8.03442 9.69537 7.43071 9.32448 12.8075 6.43754 12.8864 7.1372 12.2922 numMergedOcc 0
60 mol 227 unq 9 iso 0 dist 7.55216 8.03442 9.69537 5.41321 6.48027 4.59123 6.43754 12.8864 7.1372 7.57454 numMergedOcc 0
61 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 9.24557 14.7883 4.77308 8.85181 13.9989 9.42618 6.87131 numMergedOcc 0
62 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 7.08526 8.81835 6.31909 5.79468 7.48005 6.39918 8.71497 numMergedOcc 0
