0 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 15.8918 14.445 6.20293 13.1056 8.13395 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.58709 9.69698 9.74445 7.67459 8.75469 8.03754 15.8918 14.445 6.20293 13.1056 15.7652 10.323 8.80331 14.0204 8.13395 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.53564 5.90113 9.74445 10.5084 8.75469 8.03754 9.17086 10.323 8.80331 14.0204 10.615 14.445 6.20293 13.1056 8.13395 numMergedOcc 0
3 mol 43 unq 1 iso 1 dist 7.53564 5.90113 9.74445 10.5084 8.75469 8.03754 10.615 14.445 6.20293 13.1056 9.17086 10.323 8.80331 14.0204 8.13395 numMergedOcc 0
4 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 14.2472 10.9885 9.25011 11.0491 4.73512 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 4.96897 6.96065 5.83937 11.0376 7.3676 7.15352 14.2472 10.9885 9.25011 11.0491 9.92844 6.62193 6.65595 9.28444 4.73512 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 4.96897 6.96065 5.83937 11.0376 7.3676 7.15352 9.92844 6.62193 6.65595 9.28444 12.177 9.96073 6.43294 4.80738 10.6819 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 4.96897 6.96065 5.83937 11.0376 7.3676 7.15352 12.177 9.96073 6.43294 4.80738 9.92844 6.62193 6.65595 9.28444 10.6819 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 4.96897 6.96065 5.83937 11.0376 7.3676 7.15352 9.92844 6.62193 6.65595 9.28444 14.7815 11.2445 8.52121 6.28337 8.93946 numMergedOcc 0
9 mol 60 unq 2 iso 1 dist 4.96897 6.96065 5.83937 11.0376 7.3676 7.15352 14.7815 11.2445 8.52121 6.28337 9.92844 6.62193 6.65595 9.28444 8.93946 numMergedOcc 0
10 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 12.177 9.96073 6.43294 4.80738 11.3621 numMergedOcc 0
11 mol 60 unq 1 iso 1 dist 4.96897 6.96065 5.83937 11.0376 7.3676 7.15352 12.177 9.96073 6.43294 4.80738 14.2472 10.9885 9.25011 11.0491 11.3621 numMergedOcc 0
12 mol 60 unq 2 iso 0 dist 4.96897 6.96065 5.83937 11.0376 7.3676 7.15352 14.2472 10.9885 9.25011 11.0491 14.7815 11.2445 8.52121 6.28337 7.66664 numMergedOcc 0
13 mol 60 unq 2 iso 1 dist 4.96897 6.96065 5.83937 11.0376 7.3676 7.15352 14.7815 11.2445 8.52121 6.28337 14.2472 10.9885 9.25011 11.0491 7.66664 numMergedOcc 0
14 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 14.7815 11.2445 8.52121 6.28337 5.51199 numMergedOcc 0
15 mol 60 unq 2 iso 1 dist 4.96897 6.96065 5.83937 11.0376 7.3676 7.15352 14.7815 11.2445 8.52121 6.28337 12.177 9.96073 6.43294 4.80738 5.51199 numMergedOcc 0
16 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 13.6393 10.1513 6.72123 4.78811 6.86346 numMergedOcc 0
17 mol 61 unq 0 iso 1 dist 6.85094 7.15161 5.92705 15.4195 13.2942 8.44473 13.6393 10.1513 6.72123 4.78811 10.5531 5.4671 6.65721 11.2947 6.86346 numMergedOcc 0
18 mol 61 unq 1 iso 0 dist 9.94756 18.7183 9.62468 19.3827 12.9303 8.44473 20.4711 10.7369 6.65721 11.2947 19.7171 11.5608 6.72123 4.78811 6.86346 numMergedOcc 0
19 mol 61 unq 1 iso 1 dist 9.94756 18.7183 9.62468 19.3827 12.9303 8.44473 19.7171 11.5608 6.72123 4.78811 20.4711 10.7369 6.65721 11.2947 6.86346 numMergedOcc 0
20 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 8.124 5.2774 6.19304 9.59988 5.4148 numMergedOcc 0
21 mol 73 unq 0 iso 1 dist 7.84699 13.4367 6.89722 13.2901 7.92924 7.23812 8.124 5.2774 6.19304 9.59988 10.1112 10.4716 9.96396 12.8453 5.4148 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 7.84699 13.4367 6.89722 13.2901 7.92924 7.23812 10.1112 10.4716 9.96396 12.8453 19.5696 13.9156 8.70481 7.80518 14.9342 numMergedOcc 0
23 mol 73 unq 1 iso 1 dist 7.84699 13.4367 6.89722 13.2901 7.92924 7.23812 19.5696 13.9156 8.70481 7.80518 10.1112 10.4716 9.96396 12.8453 14.9342 numMergedOcc 0
24 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 19.5696 13.9156 8.70481 7.80518 13.3558 numMergedOcc 0
25 mol 73 unq 1 iso 1 dist 7.84699 13.4367 6.89722 13.2901 7.92924 7.23812 19.5696 13.9156 8.70481 7.80518 8.124 5.2774 6.19304 9.59988 13.3558 numMergedOcc 0
26 mol 73 unq 2 iso 0 dist 8.40844 13.4367 7.26679 13.2901 5.4653 7.23812 10.1112 8.31041 9.96396 12.8453 8.124 5.44275 6.19304 9.59988 5.4148 numMergedOcc 0
27 mol 73 unq 2 iso 1 dist 8.40844 13.4367 7.26679 13.2901 5.4653 7.23812 8.124 5.44275 6.19304 9.59988 10.1112 8.31041 9.96396 12.8453 5.4148 numMergedOcc 0
28 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 19.5696 11.2674 8.70481 7.80518 14.9342 numMergedOcc 0
29 mol 73 unq 3 iso 1 dist 8.40844 13.4367 7.26679 13.2901 5.4653 7.23812 19.5696 11.2674 8.70481 7.80518 10.1112 8.31041 9.96396 12.8453 14.9342 numMergedOcc 0
30 mol 73 unq 3 iso 0 dist 8.40844 13.4367 7.26679 13.2901 5.4653 7.23812 8.124 5.44275 6.19304 9.59988 19.5696 11.2674 8.70481 7.80518 13.3558 numMergedOcc 0
31 mol 73 unq 3 iso 1 dist 8.40844 13.4367 7.26679 13.2901 5.4653 7.23812 19.5696 11.2674 8.70481 7.80518 8.124 5.44275 6.19304 9.59988 13.3558 numMergedOcc 0
32 mol 73 unq 4 iso 0 dist 7.02351 10.3774 7.26679 6.7939 5.4653 7.23812 11.0108 8.31041 9.96396 12.8453 10.9082 5.44275 6.19304 9.59988 5.4148 numMergedOcc 0
33 mol 73 unq 4 iso 1 dist 7.02351 10.3774 7.26679 6.7939 5.4653 7.23812 10.9082 5.44275 6.19304 9.59988 11.0108 8.31041 9.96396 12.8453 5.4148 numMergedOcc 0
34 mol 73 unq 5 iso 0 dist 7.02351 10.3774 7.26679 6.7939 5.4653 7.23812 11.0108 8.31041 9.96396 12.8453 8.16299 11.2674 8.70481 7.80518 14.9342 numMergedOcc 0
35 mol 73 unq 5 iso 1 dist 7.02351 10.3774 7.26679 6.7939 5.4653 7.23812 8.16299 11.2674 8.70481 7.80518 11.0108 8.31041 9.96396 12.8453 14.9342 numMergedOcc 0
36 mol 73 unq 5 iso 0 dist 7.02351 10.3774 7.26679 6.7939 5.4653 7.23812 10.9082 5.44275 6.19304 9.59988 8.16299 11.2674 8.70481 7.80518 13.3558 numMergedOcc 0
37 mol 73 unq 5 iso 1 dist 7.02351 10.3774 7.26679 6.7939 5.4653 7.23812 8.16299 11.2674 8.70481 7.80518 10.9082 5.44275 6.19304 9.59988 13.3558 numMergedOcc 0
38 mol 73 unq 6 iso 0 dist 7.53504 9.64124 6.89722 5.68894 7.92924 7.23812 16.3948 10.4716 9.96396 12.8453 11.801 5.2774 6.19304 9.59988 5.4148 numMergedOcc 0
39 mol 73 unq 6 iso 1 dist 7.53504 9.64124 6.89722 5.68894 7.92924 7.23812 11.801 5.2774 6.19304 9.59988 16.3948 10.4716 9.96396 12.8453 5.4148 numMergedOcc 0
40 mol 73 unq 7 iso 0 dist 7.53504 9.64124 6.89722 5.68894 7.92924 7.23812 16.3948 10.4716 9.96396 12.8453 12.2721 13.9156 8.70481 7.80518 14.9342 numMergedOcc 0
41 mol 73 unq 7 iso 1 dist 7.53504 9.64124 6.89722 5.68894 7.92924 7.23812 12.2721 13.9156 8.70481 7.80518 16.3948 10.4716 9.96396 12.8453 14.9342 numMergedOcc 0
42 mol 73 unq 7 iso 0 dist 7.53504 9.64124 6.89722 5.68894 7.92924 7.23812 11.801 5.2774 6.19304 9.59988 12.2721 13.9156 8.70481 7.80518 13.3558 numMergedOcc 0
43 mol 73 unq 7 iso 1 dist 7.53504 9.64124 6.89722 5.68894 7.92924 7.23812 12.2721 13.9156 8.70481 7.80518 11.801 5.2774 6.19304 9.59988 13.3558 numMergedOcc 0
44 mol 73 unq 8 iso 0 dist 8.66342 9.64124 7.26679 5.68894 5.4653 7.23812 16.3948 8.31041 9.96396 12.8453 11.801 5.44275 6.19304 9.59988 5.4148 numMergedOcc 0
45 mol 73 unq 8 iso 1 dist 8.66342 9.64124 7.26679 5.68894 5.4653 7.23812 11.801 5.44275 6.19304 9.59988 16.3948 8.31041 9.96396 12.8453 5.4148 numMergedOcc 0
46 mol 73 unq 9 iso 0 dist 8.66342 9.64124 7.26679 5.68894 5.4653 7.23812 16.3948 8.31041 9.96396 12.8453 12.2721 11.2674 8.70481 7.80518 14.9342 numMergedOcc 0
47 mol 73 unq 9 iso 1 dist 8.66342 9.64124 7.26679 5.68894 5.4653 7.23812 12.2721 11.2674 8.70481 7.80518 16.3948 8.31041 9.96396 12.8453 14.9342 numMergedOcc 0
48 mol 73 unq 9 iso 0 dist 8.66342 9.64124 7.26679 5.68894 5.4653 7.23812 11.801 5.44275 6.19304 9.59988 12.2721 11.2674 8.70481 7.80518 13.3558 numMergedOcc 0
49 mol 73 unq 9 iso 1 dist 8.66342 9.64124 7.26679 5.68894 5.4653 7.23812 12.2721 11.2674 8.70481 7.80518 11.801 5.44275 6.19304 9.59988 13.3558 numMergedOcc 0
50 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 16.0753 13.9994 6.70283 13.793 7.65448 numMergedOcc 0
51 mol 152 unq 0 iso 1 dist 8.84852 9.50073 9.10619 9.27341 7.53439 8.41774 16.0753 13.9994 6.70283 13.793 15.3848 9.66339 8.56324 13.1435 7.65448 numMergedOcc 0
52 mol 152 unq 1 iso 0 dist 8.84852 9.50073 9.10619 9.27341 7.53439 8.41774 15.3848 9.66339 8.56324 13.1435 16.0158 14.2552 7.16148 11.2124 10.6875 numMergedOcc 0
53 mol 152 unq 1 iso 1 dist 8.84852 9.50073 9.10619 9.27341 7.53439 8.41774 16.0158 14.2552 7.16148 11.2124 15.3848 9.66339 8.56324 13.1435 10.6875 numMergedOcc 0
54 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 16.0158 14.2552 7.16148 11.2124 5.49936 numMergedOcc 0
55 mol 152 unq 1 iso 1 dist 8.84852 9.50073 9.10619 9.27341 7.53439 8.41774 16.0158 14.2552 7.16148 11.2124 16.0753 13.9994 6.70283 13.793 5.49936 numMergedOcc 0
56 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 11.6154 11.832 7.14453 6.83063 9.10746 numMergedOcc 0
57 mol 214 unq 0 iso 1 dist 5.69733 5.68711 8.49704 15.5551 17.1631 9.92165 11.6154 11.832 7.14453 6.83063 13.6328 12.4611 9.65138 10.1227 9.10746 numMergedOcc 0
58 mol 214 unq 1 iso 0 dist 5.69733 5.68711 8.49704 15.5551 17.1631 9.92165 13.6328 12.4611 9.65138 10.1227 11.5105 10.644 8.85478 12.7439 4.40923 numMergedOcc 0
59 mol 214 unq 1 iso 1 dist 5.69733 5.68711 8.49704 15.5551 17.1631 9.92165 11.5105 10.644 8.85478 12.7439 13.6328 12.4611 9.65138 10.1227 4.40923 numMergedOcc 0
60 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 11.5105 10.644 8.85478 12.7439 11.3796 numMergedOcc 0
61 mol 214 unq 1 iso 1 dist 5.69733 5.68711 8.49704 15.5551 17.1631 9.92165 11.5105 10.644 8.85478 12.7439 11.6154 11.832 7.14453 6.83063 11.3796 numMergedOcc 0
62 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 13.6374 9.52692 8.24498 11.4842 10.5449 numMergedOcc 0
63 mol 220 unq 0 iso 1 dist 4.3362 9.20027 7.31105 10.8891 10.1832 5.39218 13.6374 9.52692 8.24498 11.4842 17.1012 14.6296 9.23153 13.3213 10.5449 numMergedOcc 0
64 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 8.5834 4.28891 7.54212 10.4837 6.8425 numMergedOcc 0
65 mol 222 unq 0 iso 1 dist 7.10689 5.01062 8.7347 11.7342 13.6797 6.77368 8.5834 4.28891 7.54212 10.4837 8.7419 8.81265 6.00706 8.47937 6.8425 numMergedOcc 0
66 mol 222 unq 1 iso 0 dist 7.10689 5.01062 8.7347 7.99609 9.50337 7.73634 8.7419 8.81265 6.00706 4.81992 8.5834 4.28891 7.54212 9.69122 6.8425 numMergedOcc 0
67 mol 222 unq 1 iso 1 dist 7.10689 5.01062 8.7347 7.99609 9.50337 7.73634 8.5834 4.28891 7.54212 9.69122 8.7419 8.81265 6.00706 4.81992 6.8425 numMergedOcc 0
68 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 12.7977 8.95486 6.18582 4.77325 5.01979 numMergedOcc 0
69 mol 249 unq 0 iso 1 dist 5.66519 8.68833 7.29898 12.1703 10.254 6.26142 12.7977 8.95486 6.18582 4.77325 10.291 6.6173 7.57994 5.59015 5.01979 numMergedOcc 0
70 mol 249 unq 1 iso 0 dist 6.50067 8.68833 8.91685 12.1703 8.81984 6.26142 10.291 5.25611 7.57994 5.59015 12.7977 9.66184 6.18582 4.77325 5.01979 numMergedOcc 0
71 mol 249 unq 1 iso 1 dist 6.50067 8.68833 8.91685 12.1703 8.81984 6.26142 12.7977 9.66184 6.18582 4.77325 10.291 5.25611 7.57994 5.59015 5.01979 numMergedOcc 0
72 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 8.21585 9.22664 6.42289 5.90131 7.26417 numMergedOcc 0
73 mol 258 unq 0 iso 1 dist 6.59521 5.13233 8.58088 8.73425 5.27718 9.04358 8.21585 9.22664 6.42289 5.90131 10.7821 10.221 6.60405 8.81588 7.26417 numMergedOcc 0
74 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 10.161 4.58403 8.76532 11.2986 10.0156 numMergedOcc 0
75 mol 282 unq 0 iso 1 dist 6.40686 4.89059 5.67266 11.34 8.78407 7.71088 10.161 4.58403 8.76532 11.2986 12.7745 9.63727 8.04483 5.86383 10.0156 numMergedOcc 0
76 mol 282 unq 1 iso 0 dist 6.40686 4.89059 5.67266 11.34 8.78407 7.71088 12.7745 9.63727 8.04483 5.86383 9.83042 5.04235 6.33524 7.46064 5.39891 numMergedOcc 0
77 mol 282 unq 1 iso 1 dist 6.40686 4.89059 5.67266 11.34 8.78407 7.71088 9.83042 5.04235 6.33524 7.46064 12.7745 9.63727 8.04483 5.86383 5.39891 numMergedOcc 0
78 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 9.83042 5.04235 6.33524 7.46064 4.66602 numMergedOcc 0
79 mol 282 unq 1 iso 1 dist 6.40686 4.89059 5.67266 11.34 8.78407 7.71088 9.83042 5.04235 6.33524 7.46064 10.161 4.58403 8.76532 11.2986 4.66602 numMergedOcc 0
80 mol 282 unq 2 iso 0 dist 7.14443 4.89059 5.80981 11.34 5.33059 7.71088 12.7745 9.60898 8.04483 5.86383 10.161 10.5698 8.76532 11.2986 10.0156 numMergedOcc 0
81 mol 282 unq 2 iso 1 dist 7.14443 4.89059 5.80981 11.34 5.33059 7.71088 10.161 10.5698 8.76532 11.2986 12.7745 9.60898 8.04483 5.86383 10.0156 numMergedOcc 0
82 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 9.83042 8.37652 6.33524 7.46064 5.39891 numMergedOcc 0
83 mol 282 unq 3 iso 1 dist 7.14443 4.89059 5.80981 11.34 5.33059 7.71088 9.83042 8.37652 6.33524 7.46064 12.7745 9.60898 8.04483 5.86383 5.39891 numMergedOcc 0
84 mol 282 unq 3 iso 0 dist 7.14443 4.89059 5.80981 11.34 5.33059 7.71088 10.161 10.5698 8.76532 11.2986 9.83042 8.37652 6.33524 7.46064 4.66602 numMergedOcc 0
85 mol 282 unq 3 iso 1 dist 7.14443 4.89059 5.80981 11.34 5.33059 7.71088 9.83042 8.37652 6.33524 7.46064 10.161 10.5698 8.76532 11.2986 4.66602 numMergedOcc 0
