0 mol 34 unq 0 iso 0 dist 6.17472 5.3372 6.87871 11.9492 14.5506 7.78892 13.0456 8.95909 9.24927 13.4993 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 7.67459 8.75469 8.03754 15.7652 10.323 8.80331 14.0204 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.58709 9.69698 9.74445 7.67459 8.75469 8.03754 15.8918 14.445 6.20293 13.1056 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 7.53564 5.90113 9.74445 10.5084 8.75469 8.03754 9.17086 10.323 8.80331 14.0204 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 7.53564 5.90113 9.74445 10.5084 8.75469 8.03754 10.615 14.445 6.20293 13.1056 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 4.96897 6.96065 5.83937 11.0376 7.3676 7.15352 9.92844 6.62193 6.65595 9.28444 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 4.96897 6.96065 5.83937 11.0376 7.3676 7.15352 14.2472 10.9885 9.25011 11.0491 numMergedOcc 0
7 mol 60 unq 2 iso 0 dist 4.96897 6.96065 5.83937 11.0376 7.3676 7.15352 12.177 9.96073 6.43294 4.80738 numMergedOcc 0
8 mol 60 unq 3 iso 0 dist 4.96897 6.96065 5.83937 11.0376 7.3676 7.15352 14.7815 11.2445 8.52121 6.28337 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 6.85094 7.15161 5.92705 15.4195 13.2942 8.44473 10.5531 5.4671 6.65721 11.2947 numMergedOcc 0
10 mol 61 unq 1 iso 0 dist 6.85094 7.15161 5.92705 15.4195 13.2942 8.44473 13.6393 10.1513 6.72123 4.78811 numMergedOcc 0
11 mol 61 unq 2 iso 0 dist 9.94756 18.7183 9.62468 19.3827 12.9303 8.44473 20.4711 10.7369 6.65721 11.2947 numMergedOcc 0
12 mol 61 unq 3 iso 0 dist 9.94756 18.7183 9.62468 19.3827 12.9303 8.44473 19.7171 11.5608 6.72123 4.78811 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 13.2901 7.92924 7.23812 10.1112 10.4716 9.96396 12.8453 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 7.84699 13.4367 6.89722 13.2901 7.92924 7.23812 8.124 5.2774 6.19304 9.59988 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 7.84699 13.4367 6.89722 13.2901 7.92924 7.23812 19.5696 13.9156 8.70481 7.80518 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 8.40844 13.4367 7.26679 13.2901 5.4653 7.23812 10.1112 8.31041 9.96396 12.8453 numMergedOcc 0
17 mol 73 unq 4 iso 0 dist 8.40844 13.4367 7.26679 13.2901 5.4653 7.23812 8.124 5.44275 6.19304 9.59988 numMergedOcc 0
18 mol 73 unq 5 iso 0 dist 8.40844 13.4367 7.26679 13.2901 5.4653 7.23812 19.5696 11.2674 8.70481 7.80518 numMergedOcc 0
19 mol 73 unq 6 iso 0 dist 7.02351 10.3774 7.26679 6.7939 5.4653 7.23812 11.0108 8.31041 9.96396 12.8453 numMergedOcc 0
20 mol 73 unq 7 iso 0 dist 7.02351 10.3774 7.26679 6.7939 5.4653 7.23812 10.9082 5.44275 6.19304 9.59988 numMergedOcc 0
21 mol 73 unq 8 iso 0 dist 7.02351 10.3774 7.26679 6.7939 5.4653 7.23812 8.16299 11.2674 8.70481 7.80518 numMergedOcc 0
22 mol 73 unq 9 iso 0 dist 7.53504 9.64124 6.89722 5.68894 7.92924 7.23812 16.3948 10.4716 9.96396 12.8453 numMergedOcc 0
23 mol 73 unq 10 iso 0 dist 7.53504 9.64124 6.89722 5.68894 7.92924 7.23812 11.801 5.2774 6.19304 9.59988 numMergedOcc 0
24 mol 73 unq 11 iso 0 dist 7.53504 9.64124 6.89722 5.68894 7.92924 7.23812 12.2721 13.9156 8.70481 7.80518 numMergedOcc 0
25 mol 73 unq 12 iso 0 dist 8.66342 9.64124 7.26679 5.68894 5.4653 7.23812 16.3948 8.31041 9.96396 12.8453 numMergedOcc 0
26 mol 73 unq 13 iso 0 dist 8.66342 9.64124 7.26679 5.68894 5.4653 7.23812 11.801 5.44275 6.19304 9.59988 numMergedOcc 0
27 mol 73 unq 14 iso 0 dist 8.66342 9.64124 7.26679 5.68894 5.4653 7.23812 12.2721 11.2674 8.70481 7.80518 numMergedOcc 0
28 mol 122 unq 0 iso 0 dist 9.44209 11.9943 8.33083 20.0437 13.1171 8.75778 18.0518 12.4383 8.37808 9.00329 numMergedOcc 0
29 mol 152 unq 0 iso 0 dist 8.84852 9.50073 9.10619 9.27341 7.53439 8.41774 15.3848 9.66339 8.56324 13.1435 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 8.84852 9.50073 9.10619 9.27341 7.53439 8.41774 16.0753 13.9994 6.70283 13.793 numMergedOcc 0
31 mol 152 unq 2 iso 0 dist 8.84852 9.50073 9.10619 9.27341 7.53439 8.41774 16.0158 14.2552 7.16148 11.2124 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 5.69733 5.68711 8.49704 15.5551 17.1631 9.92165 13.6328 12.4611 9.65138 10.1227 numMergedOcc 0
33 mol 214 unq 1 iso 0 dist 5.69733 5.68711 8.49704 15.5551 17.1631 9.92165 11.6154 11.832 7.14453 6.83063 numMergedOcc 0
34 mol 214 unq 2 iso 0 dist 5.69733 5.68711 8.49704 15.5551 17.1631 9.92165 11.5105 10.644 8.85478 12.7439 numMergedOcc 0
35 mol 220 unq 0 iso 0 dist 4.3362 9.20027 7.31105 10.8891 10.1832 5.39218 17.1012 14.6296 9.23153 13.3213 numMergedOcc 0
36 mol 220 unq 1 iso 0 dist 4.3362 9.20027 7.31105 10.8891 10.1832 5.39218 13.6374 9.52692 8.24498 11.4842 numMergedOcc 0
37 mol 222 unq 0 iso 0 dist 7.10689 5.01062 8.7347 11.7342 13.6797 6.77368 8.7419 8.81265 6.00706 8.47937 numMergedOcc 0
38 mol 222 unq 1 iso 0 dist 7.10689 5.01062 8.7347 11.7342 13.6797 6.77368 8.5834 4.28891 7.54212 10.4837 numMergedOcc 0
39 mol 222 unq 2 iso 0 dist 7.10689 5.01062 8.7347 7.99609 9.50337 7.73634 8.7419 8.81265 6.00706 4.81992 numMergedOcc 0
40 mol 222 unq 3 iso 0 dist 7.10689 5.01062 8.7347 7.99609 9.50337 7.73634 8.5834 4.28891 7.54212 9.69122 numMergedOcc 0
41 mol 224 unq 0 iso 0 dist 4.99301 5.25583 6.56437 11.2656 11.5364 7.49783 13.0296 14.2632 8.95269 12.8561 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 6.36813 5.25583 6.23882 11.2656 6.88745 7.49783 13.0296 15.0038 8.95269 12.8561 numMergedOcc 0
43 mol 224 unq 2 iso 0 dist 7.7163 11.8217 9.34636 12.1661 9.9943 7.49783 7.07564 5.63485 8.95269 12.8561 numMergedOcc 0
44 mol 224 unq 3 iso 0 dist 9.06201 11.9904 9.34636 8.96263 9.9943 7.49783 10.9817 5.63485 8.95269 12.8561 numMergedOcc 0
45 mol 248 unq 0 iso 0 dist 7.83878 5.68749 7.66519 7.51278 4.13513 8.98788 12.7933 6.42363 9.56569 9.01779 numMergedOcc 0
46 mol 249 unq 0 iso 0 dist 5.66519 8.68833 7.29898 12.1703 10.254 6.26142 10.291 6.6173 7.57994 5.59015 numMergedOcc 0
47 mol 249 unq 1 iso 0 dist 5.66519 8.68833 7.29898 12.1703 10.254 6.26142 12.7977 8.95486 6.18582 4.77325 numMergedOcc 0
48 mol 249 unq 2 iso 0 dist 6.50067 8.68833 8.91685 12.1703 8.81984 6.26142 10.291 5.25611 7.57994 5.59015 numMergedOcc 0
49 mol 249 unq 3 iso 0 dist 6.50067 8.68833 8.91685 12.1703 8.81984 6.26142 12.7977 9.66184 6.18582 4.77325 numMergedOcc 0
50 mol 258 unq 0 iso 0 dist 6.59521 5.13233 8.58088 8.73425 5.27718 9.04358 10.7821 10.221 6.60405 8.81588 numMergedOcc 0
51 mol 258 unq 1 iso 0 dist 6.59521 5.13233 8.58088 8.73425 5.27718 9.04358 8.21585 9.22664 6.42289 5.90131 numMergedOcc 0
52 mol 277 unq 0 iso 0 dist 9.42812 16.2915 6.90434 13.9579 5.95045 4.81916 20.3589 13.2927 9.7748 7.94155 numMergedOcc 0
53 mol 279 unq 0 iso 0 dist 8.66917 5.31331 8.13489 10.9187 12.9291 9.24472 12.6214 5.51096 9.70696 13.0364 numMergedOcc 0
54 mol 280 unq 0 iso 0 dist 9.9227 5.80223 8.85762 6.38295 11.4101 7.96485 8.80588 4.95798 6.0664 8.26589 numMergedOcc 0
55 mol 282 unq 0 iso 0 dist 6.40686 4.89059 5.67266 11.34 8.78407 7.71088 12.7745 9.63727 8.04483 5.86383 numMergedOcc 0
56 mol 282 unq 1 iso 0 dist 6.40686 4.89059 5.67266 11.34 8.78407 7.71088 10.161 4.58403 8.76532 11.2986 numMergedOcc 0
57 mol 282 unq 2 iso 0 dist 6.40686 4.89059 5.67266 11.34 8.78407 7.71088 9.83042 5.04235 6.33524 7.46064 numMergedOcc 0
58 mol 282 unq 3 iso 0 dist 7.14443 4.89059 5.80981 11.34 5.33059 7.71088 12.7745 9.60898 8.04483 5.86383 numMergedOcc 0
59 mol 282 unq 4 iso 0 dist 7.14443 4.89059 5.80981 11.34 5.33059 7.71088 10.161 10.5698 8.76532 11.2986 numMergedOcc 0
60 mol 282 unq 5 iso 0 dist 7.14443 4.89059 5.80981 11.34 5.33059 7.71088 9.83042 8.37652 6.33524 7.46064 numMergedOcc 0
