0 mol 7 unq 0 iso 0 dist 8.41173 6.22892 6.3027 15.5737 13.0255 9.68596 10.9229 9.95119 5.03847 6.14469 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.14952 5.83658 4.92824 4.91115 10.4566 6.02702 9.89388 11.2373 6.55304 6.14469 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.0166 6.22805 5.70161 13.6771 10.0459 8.72114 12.0954 6.46501 6.34041 6.14469 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.32945 6.22805 4.57188 13.6771 10.4728 8.72114 12.0954 5.25379 6.34041 6.14469 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 9.90117 6.22805 6.09254 13.6771 12.8055 8.72114 12.0954 9.14866 6.34041 6.14469 numMergedOcc 0
5 mol 17 unq 0 iso 0 dist 9.26685 6.53817 11.7814 10.8117 18.8725 9.78331 9.78918 14.8435 5.67637 7.25951 numMergedOcc 0
6 mol 17 unq 1 iso 0 dist 9.26685 6.53817 11.7814 10.8117 18.8725 9.78331 6.80314 14.487 4.03817 7.92012 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 8.63522 9.0361 10.2218 13.32 14.4245 8.31932 9.2062 6.69798 4.48396 8.88394 numMergedOcc 0
8 mol 102 unq 1 iso 0 dist 5.43401 9.0361 8.17186 13.32 11.7662 8.31932 9.2062 5.6591 4.48396 8.88394 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 9.47945 6.01711 5.53673 6.4423 14.3833 9.61462 6.4751 15.864 11.5561 5.25109 numMergedOcc 0
10 mol 171 unq 1 iso 0 dist 9.47945 6.01711 5.53673 6.4423 14.3833 9.61462 5.75085 14.3848 10.844 8.21618 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 6.47689 9.63295 5.16386 14.1039 10.9743 5.9176 14.0071 9.12123 6.29863 7.22883 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 5.92175 7.47238 4.90814 15.5413 13.5442 9.05071 9.78197 5.39184 4.9377 9.8664 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 6.74214 8.89538 10.4952 16.6173 17.6657 8.67864 14.1787 17.4646 7.95232 5.92374 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 5.33462 8.89538 7.22173 16.6173 13.6546 8.67864 14.1787 13.0383 7.95232 5.92374 numMergedOcc 0
15 mol 271 unq 0 iso 0 dist 8.07242 8.32351 5.6441 6.38496 5.70063 8.98576 5.75889 7.0065 5.53238 5.92274 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 6.12202 9.81087 7.96313 13.6675 9.61642 7.46394 19.3936 16.6662 11.1602 7.75216 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 6.44266 9.79674 9.61244 7.28382 8.30714 8.91672 11.2878 8.44509 5.58338 7.75216 numMergedOcc 0
18 mol 274 unq 2 iso 0 dist 8.75703 9.79674 10.7877 7.28382 14.6318 8.91672 11.2878 14.3902 5.58338 7.75216 numMergedOcc 0
19 mol 280 unq 0 iso 0 dist 7.02503 8.40961 8.10688 5.87081 10.705 9.76787 9.38952 11.9041 6.19336 6.73712 numMergedOcc 0
20 mol 280 unq 1 iso 0 dist 9.18164 9.42213 8.10688 11.8683 10.705 9.76787 12.9106 11.9041 6.19336 6.73712 numMergedOcc 0
