0 mol 0 unq 0 iso 0 dist 8.82102 12.7597 9.19007 13.8238 7.02374 7.92928 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.37981 6.58151 6.26831 10.1803 10.3034 7.48645 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.19621 8.69991 6.26831 15.678 10.3034 7.48645 numMergedOcc 0
3 mol 13 unq 0 iso 0 dist 7.97656 6.67016 5.78148 12.1206 13.1699 8.00865 numMergedOcc 0
4 mol 13 unq 1 iso 0 dist 7.97656 6.67016 5.78148 8.05984 11.1987 9.11447 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 6.80741 4.7418 8.63486 12.4452 11.2318 8.98797 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 8.42147 7.13575 7.71107 4.9128 7.59143 9.41723 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 8.42445 10.9798 6.34525 13.4874 5.31367 8.06525 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.42766 16.5854 8.56342 19.2082 10.0197 9.87025 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 9.42766 16.5854 8.56342 19.0836 10.6679 5.85818 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.97145 13.3078 9.29384 13.3545 7.00551 9.39683 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 6.5874 10.6416 9.29384 13.1338 7.00551 9.39683 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 9.00898 15.1521 7.35824 18.3157 11.1651 7.01126 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 9.00898 13.624 9.17364 18.3157 11.1651 6.58434 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 8.0974 5.49143 4.92088 5.20764 5.25267 5.98771 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 7.66381 12.2047 9.83476 16.0836 13.1933 7.94153 numMergedOcc 0
16 mol 188 unq 0 iso 0 dist 9.24118 11.8438 8.57261 17.6717 12.0548 7.48284 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 7.32478 14.1302 8.83356 10.942 5.38925 9.77862 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 9.48439 13.752 8.83356 11.6958 5.38925 9.77862 numMergedOcc 0
19 mol 198 unq 0 iso 0 dist 6.47339 10.1932 8.10985 16.0212 12.2117 8.15936 numMergedOcc 0
20 mol 198 unq 1 iso 0 dist 6.47339 10.1932 8.10985 16.0476 10.8191 8.16598 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 8.49704 5.20422 6.38157 6.35728 6.67959 5.10114 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.17826 7.69431 8.03442 8.34104 6.43754 7.1372 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.31417 16.0652 7.32982 14.6283 8.85181 9.42618 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 5.56719 11.468 7.32982 11.0241 8.85181 9.42618 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 7.93997 13.6686 8.55558 9.27954 5.79468 6.39918 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.98528 7.01469 6.57903 11.4112 9.92201 7.25677 numMergedOcc 0
27 mol 282 unq 0 iso 0 dist 9.12049 8.9468 8.0241 9.69725 5.9438 6.353 numMergedOcc 0
