0 mol 8 unq 0 iso 0 dist 9.95165 15.9496 6.82379 16.9454 7.12263 5.7531 16.9034 8.77457 4.94497 7.35217 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.95165 15.9496 6.82379 8.95363 5.00267 11.0223 16.9034 8.77457 4.94497 11.1833 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 9.95165 14.678 6.24978 16.9454 7.12263 4.88215 16.9034 8.77457 5.61772 7.35217 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 9.95165 14.678 6.24978 8.95363 5.00267 6.80407 16.9034 8.77457 5.61772 11.1833 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 9.95165 17.3707 9.66439 16.9454 7.12263 6.36434 16.9034 8.77457 10.4848 7.35217 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 9.95165 17.3707 9.66439 8.95363 5.00267 8.44094 16.9034 8.77457 10.4848 11.1833 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 9.95165 12.915 7.3915 16.9454 7.12263 8.79272 16.9034 8.77457 14.1378 7.35217 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 9.95165 12.915 7.3915 8.95363 5.00267 6.32152 16.9034 8.77457 14.1378 11.1833 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 9.23617 11.8354 7.48847 6.57527 7.69625 8.19436 12.9223 6.39966 6.42867 7.71716 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 9.23617 14.4019 6.92532 6.57527 7.69625 10.3648 12.9223 6.39966 4.97119 7.71716 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 9.23617 10.38 6.36455 6.57527 7.69625 6.49317 12.9223 6.39966 6.01808 7.71716 numMergedOcc 0
11 mol 19 unq 3 iso 0 dist 8.59114 5.67097 7.48847 8.42839 7.69625 8.19436 10.8426 6.39966 6.42867 7.71716 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 8.59114 14.3476 6.92532 8.42839 7.69625 10.3648 10.8426 6.39966 4.97119 7.71716 numMergedOcc 0
13 mol 19 unq 5 iso 0 dist 8.59114 12.7 6.36455 8.42839 7.69625 6.49317 10.8426 6.39966 6.01808 7.71716 numMergedOcc 0
14 mol 19 unq 6 iso 0 dist 8.63204 15.2051 7.48847 11.9235 7.69625 8.19436 10.5195 6.39966 6.42867 7.71716 numMergedOcc 0
15 mol 19 unq 7 iso 0 dist 8.63204 6.57145 6.92532 11.9235 7.69625 10.3648 10.5195 6.39966 4.97119 7.71716 numMergedOcc 0
16 mol 19 unq 8 iso 0 dist 8.63204 6.01189 6.36455 11.9235 7.69625 6.49317 10.5195 6.39966 6.01808 7.71716 numMergedOcc 0
17 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 13.674 9.38831 6.58998 10.7574 9.69752 4.32034 10.025 numMergedOcc 0
18 mol 24 unq 1 iso 0 dist 4.61828 9.20254 6.60423 13.674 9.38831 6.58998 12.8157 9.36461 8.52463 6.99746 numMergedOcc 0
19 mol 24 unq 2 iso 0 dist 4.61828 8.8926 7.83786 13.674 9.38831 11.0493 10.7574 9.69752 9.6469 10.025 numMergedOcc 0
20 mol 24 unq 3 iso 0 dist 4.61828 8.8926 7.83786 13.674 9.38831 11.0493 12.8157 9.36461 14.6654 6.99746 numMergedOcc 0
21 mol 53 unq 0 iso 0 dist 8.83047 14.3035 7.09169 8.60221 4.75776 8.19773 12.4655 7.75295 5.09224 5.68983 numMergedOcc 0
22 mol 53 unq 1 iso 0 dist 6.95013 5.02495 7.09169 9.61297 4.75776 8.19773 7.96384 7.75295 5.09224 5.68983 numMergedOcc 0
23 mol 73 unq 0 iso 0 dist 8.91206 12.3394 8.03303 16.3838 8.58543 8.92736 6.41591 7.62738 14.6243 15.4757 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 8.67513 14.4506 8.03303 10.3777 8.58543 8.92736 9.55939 7.62738 14.6243 15.4757 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 9.08671 13.2962 8.67766 12.5938 9.92553 11.8348 6.21014 6.76575 7.20706 10.9279 numMergedOcc 0
26 mol 109 unq 1 iso 0 dist 9.08671 10.223 8.0831 12.5938 9.92553 15.0307 6.21014 6.76575 5.35728 10.9279 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 8.84146 13.7656 7.77116 16.2159 8.03035 4.91132 15.2909 8.8562 7.20179 6.96805 numMergedOcc 0
28 mol 119 unq 1 iso 0 dist 8.84146 13.7656 7.77116 16.2159 8.03035 4.91132 4.96177 7.91683 9.89358 13.3975 numMergedOcc 0
29 mol 119 unq 2 iso 0 dist 8.84146 13.7656 7.77116 11.6573 7.6968 6.08167 15.2909 8.8562 7.20179 4.86811 numMergedOcc 0
30 mol 119 unq 3 iso 0 dist 8.84146 13.7656 7.77116 11.6573 7.6968 6.08167 4.96177 7.91683 9.89358 8.00229 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 4.97005 11.3961 9.56197 10.0516 7.55358 9.27818 5.80701 7.46987 9.74148 13.1254 numMergedOcc 0
32 mol 186 unq 1 iso 0 dist 4.97005 11.3961 9.56197 5.57831 7.60991 9.55926 5.80701 7.46987 9.74148 8.74186 numMergedOcc 0
33 mol 186 unq 2 iso 0 dist 4.97005 10.0248 7.24795 10.0516 7.55358 13.0197 5.80701 7.46987 7.30024 13.1254 numMergedOcc 0
34 mol 186 unq 3 iso 0 dist 4.97005 10.0248 7.24795 5.57831 7.60991 12.9082 5.80701 7.46987 7.30024 8.74186 numMergedOcc 0
35 mol 186 unq 4 iso 0 dist 4.97005 9.14781 8.64409 10.0516 7.55358 4.37002 5.80701 7.46987 11.6919 13.1254 numMergedOcc 0
36 mol 186 unq 5 iso 0 dist 4.97005 9.14781 8.64409 5.57831 7.60991 4.64235 5.80701 7.46987 11.6919 8.74186 numMergedOcc 0
37 mol 186 unq 6 iso 0 dist 4.97005 6.69897 7.60202 10.0516 7.55358 9.72941 5.80701 7.46987 5.3967 13.1254 numMergedOcc 0
38 mol 186 unq 7 iso 0 dist 4.97005 6.69897 7.60202 5.57831 7.60991 5.39885 5.80701 7.46987 5.3967 8.74186 numMergedOcc 0
39 mol 194 unq 0 iso 0 dist 8.63008 13.445 6.26839 10.3444 5.52678 6.66155 4.44921 5.68348 11.6598 8.43261 numMergedOcc 0
40 mol 194 unq 1 iso 0 dist 8.63008 13.445 6.26839 14.1482 9.81666 5.4499 4.44921 5.68348 11.6598 13.8424 numMergedOcc 0
41 mol 194 unq 2 iso 0 dist 8.63008 15.3582 8.12346 10.3444 5.52678 6.12973 4.44921 5.68348 12.0887 8.43261 numMergedOcc 0
42 mol 194 unq 3 iso 0 dist 8.63008 15.3582 8.12346 14.1482 9.81666 11.0239 4.44921 5.68348 12.0887 13.8424 numMergedOcc 0
43 mol 194 unq 4 iso 0 dist 8.63008 10.977 8.83356 10.3444 5.52678 13.0333 4.44921 5.68348 7.11753 8.43261 numMergedOcc 0
44 mol 194 unq 5 iso 0 dist 8.63008 10.977 8.83356 14.1482 9.81666 18.6469 4.44921 5.68348 7.11753 13.8424 numMergedOcc 0
45 mol 194 unq 6 iso 0 dist 8.63008 16.6746 8.2654 10.3444 5.52678 10.1796 4.44921 5.68348 12.8755 8.43261 numMergedOcc 0
46 mol 194 unq 7 iso 0 dist 8.63008 16.6746 8.2654 14.1482 9.81666 13.5457 4.44921 5.68348 12.8755 13.8424 numMergedOcc 0
47 mol 225 unq 0 iso 0 dist 8.768 6.89798 6.6561 6.78745 6.53728 4.76151 12.7912 8.20162 7.17211 6.59663 numMergedOcc 0
