0 mol 11 unq 0 iso 0 dist 9.23212 11.3059 6.54358 12.8782 6.86684 6.859 7.86896 4.61088 4.10106 5.96346 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.04834 5.37568 7.65889 5.36911 6.51133 5.94982 6.05535 4.7319 6.86055 6.72833 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.04834 5.37568 7.65889 5.36911 6.51133 5.94982 5.72175 11.6856 5.01101 6.93532 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 8.17898 5.37568 6.42835 5.36911 5.30082 5.94982 6.05535 11.0958 6.86055 6.72833 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 8.17898 5.37568 6.42835 5.36911 5.30082 5.94982 5.72175 5.05803 5.01101 6.93532 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.35095 7.63533 5.68215 10.2645 4.50066 6.19899 15.591 11.0194 8.91183 9.01567 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.35095 7.63533 5.68215 9.89331 5.11617 6.61696 5.76725 5.54419 10.1698 8.4051 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 6.35095 7.63533 5.68215 9.89331 5.11617 6.61696 15.591 11.0194 8.91183 7.29868 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 6.35095 7.63533 5.68215 9.89331 5.11617 6.61696 17.7689 13.2433 14.8647 8.60554 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 5.87895 6.87351 8.87744 7.06532 6.38336 4.5711 5.75653 7.36323 6.28159 8.23446 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 5.87895 7.79018 7.27472 7.06532 6.38336 4.44526 5.75653 7.36323 5.50396 8.23446 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 5.87895 7.79018 7.27472 11.0714 6.7828 9.586 5.75653 7.36323 5.50396 8.75662 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 5.87895 7.79018 7.27472 11.0714 6.7828 9.586 19.0836 15.5296 14.4081 9.44691 numMergedOcc 0
13 mol 25 unq 0 iso 0 dist 8.23292 13.0315 6.55597 11.6867 5.77929 9.16515 12.4427 5.04899 4.69295 8.87757 numMergedOcc 0
14 mol 25 unq 1 iso 0 dist 8.23292 13.0315 6.55597 11.6867 5.77929 9.16515 15.8887 12.7009 13.2447 8.50222 numMergedOcc 0
15 mol 25 unq 2 iso 0 dist 8.23292 13.0315 6.55597 11.6867 5.77929 9.16515 16.0361 12.8117 14.9982 7.55264 numMergedOcc 0
16 mol 25 unq 3 iso 0 dist 8.23292 9.50063 7.07751 11.6867 5.77929 9.82987 12.4427 5.04899 8.79309 8.87757 numMergedOcc 0
17 mol 25 unq 4 iso 0 dist 8.23292 9.50063 7.07751 11.6867 5.77929 9.82987 15.8887 12.7009 11.8139 8.50222 numMergedOcc 0
18 mol 25 unq 5 iso 0 dist 8.23292 9.50063 7.07751 11.6867 5.77929 9.82987 16.0361 12.8117 14.1251 7.55264 numMergedOcc 0
19 mol 25 unq 6 iso 0 dist 8.23292 10.985 9.49421 11.6867 5.77929 6.53269 12.4427 5.04899 13.6145 8.87757 numMergedOcc 0
20 mol 25 unq 7 iso 0 dist 8.23292 10.985 9.49421 11.6867 5.77929 6.53269 15.8887 12.7009 5.18617 8.50222 numMergedOcc 0
21 mol 25 unq 8 iso 0 dist 8.23292 10.985 9.49421 11.6867 5.77929 6.53269 16.0361 12.8117 5.68041 7.55264 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 6.30194 10.7557 8.68662 10.9561 6.56633 8.96616 10.5627 6.19304 6.20232 9.24757 numMergedOcc 0
23 mol 73 unq 1 iso 0 dist 6.30194 11.1632 7.4369 10.9561 6.56633 6.14542 10.5627 6.19304 5.70116 9.24757 numMergedOcc 0
24 mol 73 unq 2 iso 0 dist 5.79954 11.5216 9.73086 6.66506 5.11416 6.14542 12.8388 9.96396 5.70116 9.24757 numMergedOcc 0
25 mol 73 unq 3 iso 0 dist 7.01889 16.3376 9.73086 11.8962 5.11416 6.14542 15.0744 9.96396 5.70116 9.24757 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 5.67862 10.8891 7.93372 10.8422 5.29786 9.0176 12.5576 9.5126 12.847 7.69991 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 5.67862 10.8891 7.93372 10.8422 5.29786 9.0176 9.52819 6.37586 8.06642 6.23142 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 5.67862 10.8891 7.93372 10.8422 5.29786 9.0176 12.4156 9.71307 4.00092 9.94764 numMergedOcc 0
29 mol 143 unq 0 iso 0 dist 5.30872 5.88056 5.37047 9.99577 6.48978 5.06564 6.3915 5.99315 4.78563 7.78652 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 5.30872 5.88056 5.37047 10.2769 5.20762 7.5373 6.3915 5.99315 4.78563 8.91301 numMergedOcc 0
31 mol 170 unq 0 iso 0 dist 7.15418 10.4801 9.08274 13.7008 9.275 6.47164 11.0527 11.8841 4.12764 9.10511 numMergedOcc 0
32 mol 170 unq 1 iso 0 dist 7.15418 10.4801 9.08274 13.7008 9.275 6.47164 15.2278 12.8281 4.78249 6.35982 numMergedOcc 0
33 mol 170 unq 2 iso 0 dist 7.15418 10.4801 9.08274 17.969 12.5696 9.65126 15.2278 12.8281 4.78249 7.51126 numMergedOcc 0
34 mol 204 unq 0 iso 0 dist 7.7292 5.99091 7.9133 8.82861 5.86489 9.48625 9.54287 8.51516 5.57347 7.32294 numMergedOcc 0
35 mol 229 unq 0 iso 0 dist 8.0007 6.80826 6.95201 14.548 10.2411 9.37336 12.1346 11.7165 5.70473 8.66332 numMergedOcc 0
36 mol 232 unq 0 iso 0 dist 7.47238 6.2559 6.71524 9.78197 4.9377 9.9183 11.3868 10.5803 9.74344 8.50102 numMergedOcc 0
37 mol 232 unq 1 iso 0 dist 7.47238 6.2559 6.71524 9.78197 4.9377 9.9183 10.134 8.27212 5.10213 9.40808 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 9.67966 5.07724 5.64285 12.4654 5.08515 7.77911 18.238 11.0622 13.1872 7.32499 numMergedOcc 0
