0 mol 7 unq 0 iso 0 dist 8.75465 8.00249 4.80709 15.0884 9.87885 14.1836 17.9527 10.1841 14.4236 9.68596 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 7.5136 8.09082 5.3862 6.5268 5.93898 9.84542 13.2376 6.17993 10.6444 9.06424 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.48944 9.04448 11.9756 14.0586 7.27472 17.003 16.1592 10.4353 13.7009 9.12854 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.48944 6.6834 13.4516 14.0586 7.27472 16.707 16.1592 10.4353 18.3168 9.12854 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.04448 8.48944 11.9756 9.67461 5.68215 9.33482 16.1592 13.7009 10.4353 8.70827 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 9.04448 8.48944 11.9756 9.67461 5.68215 9.33482 10.9795 4.08755 14.7634 6.73939 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 9.04448 6.6834 10.7501 9.67461 5.68215 10.9113 16.1592 13.7009 18.3168 8.70827 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 9.04448 6.6834 10.7501 9.67461 5.68215 10.9113 10.9795 4.08755 10.0453 6.73939 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 6.6834 8.48944 13.4516 13.4994 7.95042 17.9275 10.9795 10.0453 14.7634 9.41441 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 6.6834 9.04448 10.7501 13.4994 7.95042 12.5088 10.9795 10.0453 4.08755 9.41441 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 8.57607 7.84956 10.3056 4.16047 8.27883 11.5783 8.4204 15.7954 12.8132 9.49454 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 8.57607 6.1991 6.27231 4.16047 8.27883 5.75428 8.4204 15.7954 10.4348 9.49454 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 8.57607 5.96246 11.734 4.16047 8.27883 8.57395 8.4204 15.7954 5.88327 9.49454 numMergedOcc 0
13 mol 95 unq 3 iso 0 dist 6.1991 7.84956 9.77913 4.16047 5.75428 11.5783 8.4204 10.4348 12.8132 9.49454 numMergedOcc 0
14 mol 95 unq 4 iso 0 dist 6.1991 8.57607 6.27231 4.16047 5.75428 8.27883 8.4204 10.4348 15.7954 9.49454 numMergedOcc 0
15 mol 95 unq 5 iso 0 dist 6.1991 5.96246 6.95874 4.16047 5.75428 8.57395 8.4204 10.4348 5.88327 9.49454 numMergedOcc 0
16 mol 95 unq 6 iso 0 dist 5.96246 7.84956 7.51315 4.16047 8.57395 11.5783 8.4204 5.88327 12.8132 9.49454 numMergedOcc 0
17 mol 95 unq 7 iso 0 dist 5.96246 8.57607 11.734 4.16047 8.57395 8.27883 8.4204 5.88327 15.7954 9.49454 numMergedOcc 0
18 mol 95 unq 8 iso 0 dist 5.96246 6.1991 6.95874 4.16047 8.57395 5.75428 8.4204 5.88327 10.4348 9.49454 numMergedOcc 0
19 mol 98 unq 0 iso 0 dist 5.91797 6.37954 6.70343 15.3018 9.64383 14.0897 17.9909 12.82 18.9962 7.23884 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 5.91797 6.37954 6.70343 9.41666 7.54889 5.2571 5.21813 3.92737 3.94967 4.47349 numMergedOcc 0
21 mol 98 unq 2 iso 0 dist 5.91797 6.37954 6.70343 9.57791 7.78931 8.7497 5.21813 3.92737 3.94967 5.65185 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 6.37954 5.91797 6.70343 5.90686 5.10496 9.81956 5.21813 3.94967 3.92737 6.7117 numMergedOcc 0
23 mol 98 unq 4 iso 0 dist 6.37954 5.91797 6.70343 9.41666 5.2571 7.54889 5.21813 3.94967 3.92737 4.47349 numMergedOcc 0
24 mol 98 unq 5 iso 0 dist 6.37954 5.91797 6.70343 9.57791 8.7497 7.78931 5.21813 3.94967 3.92737 5.65185 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 7.76446 6.14652 5.83782 10.4858 9.1998 8.69531 6.08299 11.5269 6.93712 9.94764 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 6.14652 7.76446 5.83782 7.07625 9.33094 11.0808 6.08299 6.93712 11.5269 6.23142 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 6.14652 7.76446 5.83782 10.4858 8.69531 9.1998 6.08299 6.93712 11.5269 9.94764 numMergedOcc 0
28 mol 184 unq 0 iso 0 dist 8.33147 8.09403 5.33725 4.59843 8.97589 5.96423 6.71675 3.7949 4.67256 6.42735 numMergedOcc 0
29 mol 184 unq 1 iso 0 dist 8.09403 8.33147 5.33725 4.59843 5.96423 8.97589 6.71675 4.67256 3.7949 6.42735 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 6.04336 9.00537 7.15345 6.13422 7.05695 11.651 6.19189 3.78314 4.03697 7.76163 numMergedOcc 0
31 mol 186 unq 1 iso 0 dist 9.00537 6.04336 7.15345 9.40374 6.61112 10.8806 6.19189 4.03697 3.78314 8.73217 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 6.32553 9.71147 8.01847 9.40714 6.52816 13.5527 6.32542 5.28417 8.8607 6.03688 numMergedOcc 0
33 mol 213 unq 0 iso 0 dist 8.04327 8.38045 5.04116 7.18317 8.21793 9.29723 9.65238 8.75651 5.68665 7.37798 numMergedOcc 0
34 mol 213 unq 1 iso 0 dist 8.04327 8.38045 5.04116 7.18317 8.21793 9.29723 12.009 8.99471 13.0447 7.73322 numMergedOcc 0
35 mol 243 unq 0 iso 0 dist 8.96099 9.30388 6.27924 5.13362 7.10671 10.5519 11.609 3.85188 9.79024 8.76935 numMergedOcc 0
36 mol 243 unq 1 iso 0 dist 8.96099 9.30388 6.27924 5.13362 7.10671 10.5519 12.7939 6.25256 12.2828 8.47652 numMergedOcc 0
37 mol 243 unq 2 iso 0 dist 6.56525 5.78671 6.68192 5.8297 7.10671 10.5333 7.30188 3.85188 5.42682 8.76935 numMergedOcc 0
38 mol 243 unq 3 iso 0 dist 6.56525 5.78671 6.68192 5.8297 7.10671 10.5333 9.75388 6.25256 9.67779 8.47652 numMergedOcc 0
39 mol 243 unq 4 iso 0 dist 6.56525 5.46817 6.67199 5.8297 7.10671 8.67156 7.30188 3.85188 4.21383 8.76935 numMergedOcc 0
40 mol 243 unq 5 iso 0 dist 6.56525 5.46817 6.67199 5.8297 7.10671 8.67156 9.75388 6.25256 6.94795 8.47652 numMergedOcc 0
41 mol 243 unq 6 iso 0 dist 5.46817 5.78671 4.09189 5.8297 8.67156 10.5333 7.30188 4.21383 5.42682 8.76935 numMergedOcc 0
42 mol 243 unq 7 iso 0 dist 5.46817 5.78671 4.09189 5.8297 8.67156 10.5333 9.75388 6.94795 9.67779 8.47652 numMergedOcc 0
43 mol 243 unq 8 iso 0 dist 5.46817 6.56525 6.67199 5.8297 8.67156 7.10671 7.30188 4.21383 3.85188 8.76935 numMergedOcc 0
44 mol 243 unq 9 iso 0 dist 5.46817 6.56525 6.67199 5.8297 8.67156 7.10671 9.75388 6.94795 6.25256 8.47652 numMergedOcc 0
45 mol 279 unq 0 iso 0 dist 7.26637 9.88022 12.3271 6.07975 7.24366 14.8033 5.02385 4.05042 11.7578 7.23721 numMergedOcc 0
46 mol 279 unq 1 iso 0 dist 7.26637 9.88198 13.095 6.07975 7.24366 10.2562 5.02385 4.05042 9.85432 7.23721 numMergedOcc 0
