0 mol 26 unq 0 iso 0 dist 7.7868 5.19508 7.61055 4.03003 7.3022 5.30297 10.4427 11.0099 10.4035 6.46104 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.7868 5.19508 7.61055 4.03003 7.3022 5.30297 9.94775 4.74747 8.6385 7.36856 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 8.91418 4.15148 5.52067 7.10946 6.42834 4.85777 13.3754 5.0364 9.57606 8.51663 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 6.0961 7.51317 5.52067 4.08339 6.42834 4.85777 5.41493 5.0364 9.57606 8.51663 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.84323 5.0413 9.87677 7.46975 6.04903 7.97193 14.3699 11.7069 15.0857 7.56205 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 8.84323 5.0413 9.87677 7.46975 6.04903 7.97193 8.1599 5.49555 10.9202 4.74544 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.57958 7.38289 9.28578 11.6798 7.1539 7.75408 14.0535 9.97281 10.4448 5.37007 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 7.57958 7.38289 9.28578 12.656 5.39745 12.1199 11.0291 6.99832 12.3604 6.95572 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 6.01132 9.38503 7.62145 11.7935 6.90634 6.85776 10.5028 6.01663 10.7041 9.72053 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 6.01132 9.38503 7.62145 11.7935 6.90634 6.85776 17.7754 12.8559 14.4548 7.7949 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 9.43335 5.91006 8.1582 14.3207 6.46089 11.5146 11.9443 6.01455 7.63338 7.78652 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 9.43335 10.9939 7.88655 14.3207 6.46089 6.60479 11.9443 6.01455 7.25673 7.78652 numMergedOcc 0
12 mol 143 unq 2 iso 0 dist 9.9492 14.2311 8.1582 6.3462 6.46089 11.5146 13.375 6.01455 7.63338 7.78652 numMergedOcc 0
13 mol 143 unq 3 iso 0 dist 9.9492 9.32969 7.88655 6.3462 6.46089 6.60479 13.375 6.01455 7.25673 7.78652 numMergedOcc 0
14 mol 146 unq 0 iso 0 dist 9.77771 13.2483 8.68349 11.2713 9.44952 6.00811 19.8643 14.7359 9.80351 8.84535 numMergedOcc 0
15 mol 146 unq 1 iso 0 dist 9.77771 13.2483 8.68349 11.2713 9.44952 6.00811 14.7989 7.00857 9.52033 8.82188 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 8.91189 6.23157 7.13269 6.69743 5.9032 7.97232 7.97007 4.57561 7.25742 8.4858 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.70025 8.93412 7.96291 6.02828 8.9289 6.12563 10.0354 13.3389 11.6558 5.9176 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.08641 7.41978 9.59034 5.18732 9.84492 6.71237 11.5247 10.5203 6.72641 7.76163 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 9.08641 7.41978 9.59034 5.18732 9.84492 6.71237 9.44405 11.7299 14.713 8.73217 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.96197 9.92633 9.42618 5.18265 6.87131 4.77308 10.9696 13.0842 6.66971 7.57812 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 7.96197 9.92633 9.42618 5.18265 6.87131 4.77308 13.4956 8.85181 7.32982 9.24557 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 7.96197 9.92633 9.42618 4.30687 9.69818 10.2777 10.9696 13.0842 6.66971 8.69104 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 9.53092 6.20003 6.39918 11.7116 8.71497 6.31909 12.348 11.6195 10.5803 7.98231 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 9.53092 6.20003 6.39918 11.7116 8.71497 6.31909 11.6963 5.79468 8.55558 7.08526 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 6.21206 5.34871 6.5422 5.29885 7.34094 6.67381 10.7818 9.67998 11.0622 5.93616 numMergedOcc 0
