0 mol 0 unq 0 iso 0 dist 6.99594 12.7893 7.92928 12.3865 7.02374 9.19007 17.1658 13.4647 14.0232 6.91778 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.99594 5.66453 7.48645 9.42137 10.3034 6.26831 8.60656 12.9702 5.73813 7.40865 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 9.86938 11.4765 8.94096 15.118 13.7792 6.82379 14.2173 14.4294 5.65816 7.03958 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 9.86938 11.4765 8.94096 17.0203 12.8924 7.3915 14.2173 14.4294 5.65816 8.53529 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 8.16743 12.3138 9.07858 16.9088 15.4959 6.82379 10.4489 11.4415 5.65816 7.03958 numMergedOcc 0
5 mol 8 unq 3 iso 0 dist 8.16743 12.3138 9.07858 7.46102 4.85329 7.3915 10.4489 11.4415 5.65816 8.53529 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 8.77049 5.3866 9.82483 11.8248 13.5628 7.05346 10.4202 11.6997 8.88528 7.32257 numMergedOcc 0
7 mol 9 unq 1 iso 0 dist 6.95341 6.49896 9.82483 10.068 13.5628 7.05346 6.29049 11.6997 8.88528 7.32257 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 7.7868 5.19508 7.61055 9.94775 4.74747 8.6385 4.03003 7.3022 5.30297 7.36856 numMergedOcc 0
9 mol 44 unq 0 iso 0 dist 7.23261 8.17152 9.17518 9.96265 5.87283 7.52117 12.8967 13.4333 5.1728 9.6782 numMergedOcc 0
10 mol 44 unq 1 iso 0 dist 6.20069 8.17152 8.21833 9.96265 10.6223 7.52117 12.8967 13.2979 5.1728 9.6782 numMergedOcc 0
11 mol 44 unq 2 iso 0 dist 8.96501 10.0357 9.17518 9.70459 5.87283 7.52117 13.4256 13.4333 5.1728 9.6782 numMergedOcc 0
12 mol 44 unq 3 iso 0 dist 9.4798 7.37043 9.17518 7.78905 5.87283 7.52117 9.64095 13.4333 5.1728 9.6782 numMergedOcc 0
13 mol 56 unq 0 iso 0 dist 5.67098 7.39536 5.86571 14.0262 10.9467 6.77886 13.539 12.9373 8.25666 7.16773 numMergedOcc 0
14 mol 56 unq 1 iso 0 dist 8.58218 11.4735 5.86571 17.7498 10.9467 6.77886 16.4058 12.9373 8.25666 7.16773 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.95838 5.47002 5.85818 13.2232 7.36192 7.99857 10.8021 11.8717 6.96805 9.11344 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 8.95838 5.47002 5.85818 13.3689 10.6679 8.56342 10.8021 11.8717 6.96805 6.52773 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 8.95838 5.47002 5.85818 13.3689 10.6679 8.56342 15.4251 15.8603 13.3975 9.23858 numMergedOcc 0
18 mol 119 unq 3 iso 0 dist 9.47892 13.8865 5.85818 15.3808 7.36192 7.99857 19.7153 11.8717 6.96805 9.11344 numMergedOcc 0
19 mol 119 unq 4 iso 0 dist 9.47892 13.8865 5.85818 19.5006 10.6679 8.56342 19.7153 11.8717 6.96805 6.52773 numMergedOcc 0
20 mol 119 unq 5 iso 0 dist 9.47892 13.8865 5.85818 19.5006 10.6679 8.56342 25.312 15.8603 13.3975 9.23858 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 9.43335 5.91006 8.1582 11.9443 6.01455 7.63338 14.3207 6.46089 11.5146 7.78652 numMergedOcc 0
22 mol 143 unq 1 iso 0 dist 9.43335 5.91006 8.1582 11.9443 6.01455 7.63338 17.4028 10.1154 13.434 8.91301 numMergedOcc 0
23 mol 143 unq 2 iso 0 dist 9.43335 10.9939 7.88655 11.9443 6.01455 7.25673 14.3207 6.46089 6.60479 7.78652 numMergedOcc 0
24 mol 143 unq 3 iso 0 dist 9.43335 10.9939 7.88655 11.9443 6.01455 7.25673 17.4028 10.1154 7.54337 8.91301 numMergedOcc 0
25 mol 143 unq 4 iso 0 dist 9.9492 14.2311 8.1582 13.375 6.01455 7.63338 6.3462 6.46089 11.5146 7.78652 numMergedOcc 0
26 mol 143 unq 5 iso 0 dist 9.9492 14.2311 8.1582 13.375 6.01455 7.63338 8.98934 10.1154 13.434 8.91301 numMergedOcc 0
27 mol 143 unq 6 iso 0 dist 9.9492 9.32969 7.88655 13.375 6.01455 7.25673 6.3462 6.46089 6.60479 7.78652 numMergedOcc 0
28 mol 143 unq 7 iso 0 dist 9.9492 9.32969 7.88655 13.375 6.01455 7.25673 8.98934 10.1154 7.54337 8.91301 numMergedOcc 0
29 mol 159 unq 0 iso 0 dist 8.91189 6.23157 7.13269 7.97007 4.57561 7.25742 4.49716 10.4588 10.3427 9.17787 numMergedOcc 0
30 mol 159 unq 1 iso 0 dist 8.91189 6.23157 7.13269 7.97007 4.57561 7.25742 6.69743 5.9032 7.97232 8.4858 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 9.08641 7.41978 9.59034 11.5247 10.5203 6.72641 5.18732 9.84492 6.71237 7.76163 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 9.46582 12.2456 7.61203 12.9412 11.6239 5.52379 17.7211 13.0987 5.83386 7.10685 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 9.77231 12.2456 9.47845 12.9412 13.9614 5.52379 17.7211 14.4678 5.83386 7.10685 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 7.96197 9.92633 9.42618 10.9696 13.0842 6.66971 5.18265 6.87131 4.77308 7.57812 numMergedOcc 0
35 mol 238 unq 3 iso 0 dist 7.96197 9.92633 9.42618 10.9696 13.0842 6.66971 4.30687 9.69818 10.2777 8.69104 numMergedOcc 0
36 mol 238 unq 4 iso 0 dist 7.96197 9.92633 9.42618 13.4956 8.85181 7.32982 5.18265 6.87131 4.77308 9.24557 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 9.53092 6.20003 6.39918 11.6963 5.79468 8.55558 11.7116 8.71497 6.31909 7.08526 numMergedOcc 0
