0 mol 11 unq 0 iso 0 dist 9.23212 7.86896 4.61088 12.8782 6.86684 5.96346 11.3059 6.54358 4.10106 6.859 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.04834 6.05535 4.7319 5.36911 6.51133 6.72833 5.37568 7.65889 6.86055 5.94982 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.17898 5.72175 5.05803 5.36911 5.30082 6.93532 5.37568 6.42835 5.01101 5.94982 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.18518 14.1404 8.4674 12.8718 9.74255 8.40416 12.2967 13.0732 10.4416 8.54034 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.18518 6.57145 4.54938 12.8718 9.74255 7.75618 12.2967 13.0732 8.7083 8.54034 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 13.4332 6.66749 9.41441 13.3081 10.2862 9.88364 9.85784 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.85331 9.20254 6.86014 13.4332 6.66749 9.41441 15.5932 11.825 9.78753 9.87996 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 6.35095 5.76725 5.54419 9.89331 5.11617 8.4051 7.63533 5.68215 10.1698 6.61696 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 6.35095 5.76725 5.54419 9.89331 5.11617 8.4051 15.1301 10.9113 13.6174 5.80953 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 6.35095 5.76725 5.54419 10.5391 13.1779 8.23446 5.12485 9.16003 5.73029 9.33304 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 6.35095 5.76725 5.54419 10.5391 13.1779 8.23446 6.2871 10.4135 6.28159 4.5711 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 6.35095 5.76725 5.54419 10.5391 13.1779 8.23446 7.57832 9.33482 5.50396 4.44526 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 6.35095 5.76725 5.54419 14.084 10.8238 8.75662 7.57832 9.33482 5.50396 9.586 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 5.87895 5.75653 7.36323 14.0475 13.2229 8.4051 15.5559 17.003 10.1698 6.61696 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 5.87895 5.75653 7.36323 14.0475 13.2229 8.4051 18.9149 16.707 13.6174 5.80953 numMergedOcc 0
15 mol 24 unq 10 iso 0 dist 5.87895 5.75653 7.36323 7.06532 6.38336 8.23446 5.42563 10.502 5.73029 9.33304 numMergedOcc 0
16 mol 24 unq 11 iso 0 dist 5.87895 5.75653 7.36323 7.06532 6.38336 8.23446 6.87351 8.87744 6.28159 4.5711 numMergedOcc 0
17 mol 24 unq 12 iso 0 dist 5.87895 5.75653 7.36323 7.06532 6.38336 8.23446 7.79018 7.27472 5.50396 4.44526 numMergedOcc 0
18 mol 24 unq 13 iso 0 dist 5.87895 5.75653 7.36323 11.0714 6.7828 8.75662 7.79018 7.27472 5.50396 9.586 numMergedOcc 0
19 mol 25 unq 0 iso 0 dist 8.23292 12.4427 5.04899 11.6867 5.77929 8.87757 13.0315 6.55597 4.69295 9.16515 numMergedOcc 0
20 mol 25 unq 1 iso 0 dist 8.23292 12.4427 5.04899 11.6867 5.77929 8.87757 9.50063 7.07751 8.79309 9.82987 numMergedOcc 0
21 mol 25 unq 2 iso 0 dist 8.23292 12.4427 5.04899 11.6867 5.77929 8.87757 11.0341 11.008 14.9206 9.40732 numMergedOcc 0
22 mol 25 unq 3 iso 0 dist 8.23292 12.4427 5.04899 11.6867 5.77929 8.87757 10.985 9.49421 13.6145 6.53269 numMergedOcc 0
23 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 10.9561 6.56633 9.24757 10.7557 8.68662 6.20232 8.96616 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 10.9561 6.56633 9.24757 11.1632 7.4369 5.70116 6.14542 numMergedOcc 0
25 mol 73 unq 2 iso 0 dist 5.79954 12.8388 9.96396 6.66506 5.11416 9.24757 14.7163 12.2276 6.20232 8.96616 numMergedOcc 0
26 mol 73 unq 3 iso 0 dist 5.79954 12.8388 9.96396 6.66506 5.11416 9.24757 11.5216 9.73086 5.70116 6.14542 numMergedOcc 0
27 mol 73 unq 4 iso 0 dist 7.01889 15.0744 9.96396 11.8962 5.11416 9.24757 18.8088 12.2276 6.20232 8.96616 numMergedOcc 0
28 mol 73 unq 5 iso 0 dist 7.01889 15.0744 9.96396 11.8962 5.11416 9.24757 16.3376 9.73086 5.70116 6.14542 numMergedOcc 0
29 mol 85 unq 0 iso 0 dist 9.22376 5.75796 7.47541 14.407 13.5116 9.82915 17.2838 15.8175 11.9064 5.05893 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 9.22376 5.75796 7.47541 14.407 13.5116 9.82915 19.7673 18.2645 14.7521 5.71866 numMergedOcc 0
31 mol 119 unq 0 iso 0 dist 6.85677 4.99061 6.18601 11.6949 10.4376 8.00003 14.6262 13.6983 9.85023 6.18678 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 10.8422 5.29786 6.23142 10.8891 7.93372 8.06642 9.0176 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 5.67862 12.4156 9.71307 10.8422 5.29786 9.94764 10.8891 7.93372 4.00092 9.0176 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 7.97208 12.5576 6.54501 10.8422 5.71679 7.69991 10.8891 11.988 12.847 9.0176 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 7.97208 9.52819 6.49416 10.8422 5.71679 6.23142 10.8891 11.988 8.06642 9.0176 numMergedOcc 0
36 mol 143 unq 0 iso 0 dist 5.30872 6.3915 5.99315 9.99577 6.48978 7.78652 5.88056 5.37047 4.78563 5.06564 numMergedOcc 0
37 mol 143 unq 1 iso 0 dist 5.30872 6.3915 5.99315 10.2769 5.20762 8.91301 5.88056 5.37047 4.78563 7.5373 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 9.63295 12.5935 7.63312 17.0911 12.5387 5.94469 10.7348 10.6106 5.42158 8.06308 numMergedOcc 0
39 mol 182 unq 0 iso 0 dist 9.36307 9.72559 9.31746 13.0317 7.68794 6.73956 12.8965 13.5224 4.88992 8.62102 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 7.7292 9.54287 8.51516 8.82861 5.86489 7.32294 5.99091 7.9133 5.57347 9.48625 numMergedOcc 0
41 mol 232 unq 0 iso 0 dist 7.47238 10.134 8.27212 9.78197 4.9377 9.40808 6.2559 6.71524 5.10213 9.9183 numMergedOcc 0
