0 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 12.1855 9.87885 12.8323 12.916 12.0193 5.99972 14.8356 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.47321 5.91584 8.57077 7.28164 8.55451 8.69454 14.7729 9.5997 9.62394 14.126 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.47321 5.91584 8.57077 6.24734 5.8245 5.84314 14.7729 9.5997 9.62394 10.9352 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 9.23212 7.86896 4.61088 11.3059 6.54358 4.10106 12.8782 6.86684 5.96346 6.859 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 9.04834 6.05535 4.7319 5.37568 7.65889 6.86055 5.36911 6.51133 6.72833 5.94982 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 8.17898 5.72175 5.05803 5.37568 6.42835 5.01101 5.36911 5.30082 6.93532 5.94982 numMergedOcc 0
6 mol 16 unq 2 iso 0 dist 8.17898 5.72175 5.05803 9.62324 6.57331 4.65873 5.36911 5.30082 6.93532 10.0132 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.35095 5.76725 5.54419 5.06352 6.6219 4.82629 9.89331 5.11617 8.4051 11.3231 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.35095 5.76725 5.54419 5.06352 6.6219 4.82629 10.5391 13.1779 8.23446 11.3777 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 6.35095 5.76725 5.54419 5.06352 6.6219 4.82629 14.084 10.8238 8.75662 13.0711 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 6.35095 5.76725 5.54419 7.63533 5.68215 10.1698 9.89331 5.11617 8.4051 6.61696 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 6.35095 5.76725 5.54419 7.63533 5.68215 10.1698 10.5391 13.1779 8.23446 16.1924 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 6.35095 5.76725 5.54419 7.63533 5.68215 10.1698 14.084 10.8238 8.75662 15.3807 numMergedOcc 0
13 mol 24 unq 6 iso 0 dist 5.87895 5.75653 7.36323 6.87351 8.87744 6.28159 14.0475 13.2229 8.4051 12.3034 numMergedOcc 0
14 mol 24 unq 7 iso 0 dist 5.87895 5.75653 7.36323 6.87351 8.87744 6.28159 7.06532 6.38336 8.23446 4.5711 numMergedOcc 0
15 mol 24 unq 8 iso 0 dist 5.87895 5.75653 7.36323 6.87351 8.87744 6.28159 11.0714 6.7828 8.75662 12.6707 numMergedOcc 0
16 mol 24 unq 9 iso 0 dist 5.87895 5.75653 7.36323 7.79018 7.27472 5.50396 14.0475 13.2229 8.4051 9.84204 numMergedOcc 0
17 mol 24 unq 10 iso 0 dist 5.87895 5.75653 7.36323 7.79018 7.27472 5.50396 7.06532 6.38336 8.23446 4.44526 numMergedOcc 0
18 mol 24 unq 11 iso 0 dist 5.87895 5.75653 7.36323 7.79018 7.27472 5.50396 11.0714 6.7828 8.75662 9.586 numMergedOcc 0
19 mol 25 unq 0 iso 0 dist 8.23292 12.4427 5.04899 11.7739 7.52933 5.03027 11.6867 5.77929 8.87757 12.7995 numMergedOcc 0
20 mol 25 unq 1 iso 0 dist 8.23292 12.4427 5.04899 13.0315 6.55597 4.69295 11.6867 5.77929 8.87757 9.16515 numMergedOcc 0
21 mol 25 unq 2 iso 0 dist 8.23292 12.4427 5.04899 9.6847 9.71956 12.2542 11.6867 5.77929 8.87757 11.5214 numMergedOcc 0
22 mol 25 unq 3 iso 0 dist 8.23292 12.4427 5.04899 9.50063 7.07751 8.79309 11.6867 5.77929 8.87757 9.82987 numMergedOcc 0
23 mol 25 unq 4 iso 0 dist 8.23292 12.4427 5.04899 9.6251 8.23761 8.17061 11.6867 5.77929 8.87757 13.3492 numMergedOcc 0
24 mol 25 unq 5 iso 0 dist 8.23292 12.4427 5.04899 10.985 9.49421 13.6145 11.6867 5.77929 8.87757 6.53269 numMergedOcc 0
25 mol 64 unq 0 iso 0 dist 9.10915 9.73304 9.67592 6.24019 9.86334 5.16015 12.219 6.21578 9.97159 12.5444 numMergedOcc 0
26 mol 64 unq 1 iso 0 dist 8.66921 10.8918 9.67592 7.01498 9.86334 5.16015 14.1509 6.21578 9.97159 12.5444 numMergedOcc 0
27 mol 64 unq 2 iso 0 dist 5.54343 5.59762 9.67592 5.18166 9.86334 5.16015 9.23947 6.21578 9.97159 12.5444 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 10.7557 8.68662 6.20232 10.9561 6.56633 9.24757 8.96616 numMergedOcc 0
29 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 11.1632 7.4369 5.70116 10.9561 6.56633 9.24757 6.14542 numMergedOcc 0
30 mol 73 unq 2 iso 0 dist 5.79954 12.8388 9.96396 11.5216 9.73086 5.70116 6.66506 5.11416 9.24757 6.14542 numMergedOcc 0
31 mol 73 unq 3 iso 0 dist 7.01889 15.0744 9.96396 16.3376 9.73086 5.70116 11.8962 5.11416 9.24757 6.14542 numMergedOcc 0
32 mol 95 unq 0 iso 0 dist 9.40559 11.8978 8.03644 12.698 9.3948 11.3215 19.4788 11.4333 9.49454 16.0499 numMergedOcc 0
33 mol 95 unq 1 iso 0 dist 9.40559 11.8978 8.03644 12.5563 9.74607 5.06946 19.4788 11.4333 9.49454 12.4483 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 7.77359 9.33924 6.95573 10.8422 5.29786 6.23142 12.2587 numMergedOcc 0
35 mol 134 unq 1 iso 0 dist 5.67862 9.52819 6.37586 10.8891 7.93372 8.06642 10.8422 5.29786 6.23142 9.0176 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 5.67862 12.4156 9.71307 7.77359 9.33924 10.2026 10.8422 5.29786 9.94764 12.2587 numMergedOcc 0
37 mol 134 unq 3 iso 0 dist 5.67862 12.4156 9.71307 10.8891 7.93372 4.00092 10.8422 5.29786 9.94764 9.0176 numMergedOcc 0
38 mol 143 unq 0 iso 0 dist 5.30872 6.3915 5.99315 5.88056 5.37047 4.78563 9.99577 6.48978 7.78652 5.06564 numMergedOcc 0
39 mol 143 unq 1 iso 0 dist 5.30872 6.3915 5.99315 5.88056 5.37047 4.78563 10.2769 5.20762 8.91301 7.5373 numMergedOcc 0
40 mol 182 unq 0 iso 0 dist 9.36307 9.72559 9.31746 5.62883 9.56028 8.82964 13.0317 7.68794 6.73956 13.3817 numMergedOcc 0
41 mol 182 unq 1 iso 0 dist 9.36307 9.72559 9.31746 5.62883 9.56028 8.82964 14.8787 9.37404 7.09394 12.6564 numMergedOcc 0
42 mol 204 unq 0 iso 0 dist 7.7292 9.54287 8.51516 5.99091 7.9133 5.57347 8.82861 5.86489 7.32294 9.48625 numMergedOcc 0
43 mol 232 unq 0 iso 0 dist 7.47238 10.134 8.27212 6.2559 6.71524 5.10213 9.78197 4.9377 9.40808 9.9183 numMergedOcc 0
44 mol 239 unq 0 iso 0 dist 9.27989 12.1502 6.16342 3.28983 6.73665 10.6736 12.9792 4.30299 8.84636 10.0627 numMergedOcc 0
