0 mol 8 unq 0 iso 0 dist 9.00925 8.68949 16.2669 9.31461 15.5014 3.84732 10.8849 19.557 9.42634 11.0838 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 8.99402 9.78153 17.1926 8.16906 5.05883 14.8787 5.07222 13.475 7.55253 12.9969 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 8.99402 9.78153 17.1926 8.16906 5.05883 14.8787 12.5246 18.9112 8.06428 18.689 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 7.88072 7.22162 3.90342 4.83638 11.087 9.11745 9.63882 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 7.83595 8.204 10.5615 7.88072 7.22162 3.90342 5.2103 10.9758 4.62145 6.87277 numMergedOcc 0
5 mol 30 unq 2 iso 0 dist 7.83595 8.204 10.5615 7.88072 7.22162 3.90342 14.1481 16.9608 9.71995 11.3258 numMergedOcc 0
6 mol 42 unq 0 iso 0 dist 8.84148 5.52834 5.21506 7.53194 4.80255 4.62559 10.1829 14.4319 9.39402 13.1561 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 7.38928 9.40644 8.74683 7.99434 9.85208 3.85292 8.12843 12.6567 7.33788 4.22002 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 7.38928 9.40644 8.74683 7.99434 9.85208 3.85292 9.72202 14.8248 9.74351 8.10774 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 7.38928 9.40644 8.74683 7.99434 9.85208 3.85292 12.7252 15.3951 7.36877 6.5241 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 7.38928 5.35252 5.03338 7.99434 9.85208 6.44604 8.12843 12.6567 8.52681 4.22002 numMergedOcc 0
11 mol 48 unq 4 iso 0 dist 7.38928 5.35252 5.03338 7.99434 9.85208 6.44604 9.72202 14.8248 9.98769 8.10774 numMergedOcc 0
12 mol 48 unq 5 iso 0 dist 8.36915 9.53081 13.2937 5.43913 5.44336 13.4515 15.1442 16.9082 7.90416 18.8458 numMergedOcc 0
13 mol 48 unq 6 iso 0 dist 8.36915 9.53081 13.2937 5.43913 5.44336 13.4515 4.89976 13.0903 9.74553 10.0937 numMergedOcc 0
14 mol 48 unq 7 iso 0 dist 8.36915 9.53081 13.2937 8.26877 10.4965 17.6258 15.1442 16.9082 7.90416 23.1493 numMergedOcc 0
15 mol 48 unq 8 iso 0 dist 8.36915 9.53081 13.2937 8.26877 10.4965 17.6258 4.89976 13.0903 9.74553 11.1156 numMergedOcc 0
16 mol 48 unq 9 iso 0 dist 6.01454 9.53081 5.41488 5.43913 9.12054 13.4515 15.1442 9.77004 7.90416 18.8458 numMergedOcc 0
17 mol 48 unq 10 iso 0 dist 6.01454 9.53081 5.41488 5.43913 9.12054 13.4515 4.89976 8.36323 9.74553 10.0937 numMergedOcc 0
18 mol 48 unq 11 iso 0 dist 6.01454 9.53081 5.41488 8.26877 13.688 17.6258 15.1442 9.77004 7.90416 23.1493 numMergedOcc 0
19 mol 48 unq 12 iso 0 dist 6.01454 9.53081 5.41488 8.26877 13.688 17.6258 4.89976 8.36323 9.74553 11.1156 numMergedOcc 0
20 mol 90 unq 0 iso 0 dist 6.6146 9.06641 5.12529 8.63446 3.78122 6.65219 4.77556 5.28331 7.01987 5.24346 numMergedOcc 0
21 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 9.64136 4.24788 11.1718 3.75302 12.5105 8.95465 12.5142 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 9.07294 5.79195 5.35551 9.35049 3.75786 4.63862 4.37065 11.2252 8.98028 11.1269 numMergedOcc 0
23 mol 167 unq 0 iso 0 dist 9.82329 7.20545 9.97915 8.43955 9.16459 6.87479 6.39898 14.9436 7.20131 10.9057 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 9.12589 9.6014 9.57585 8.09407 12.9744 8.92335 15.1018 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 7.00683 9.52029 8.61406 9.41594 4.96901 9.47121 16.0878 16.6657 8.98633 15.3367 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 7.00683 9.52029 8.61406 9.92651 3.72258 11.8097 16.0878 16.6657 8.98633 19.3267 numMergedOcc 0
27 mol 230 unq 0 iso 0 dist 6.88683 9.24729 11.0843 8.01593 7.62813 3.86973 4.45276 10.1927 9.62914 9.47092 numMergedOcc 0
28 mol 230 unq 1 iso 0 dist 6.88683 9.24729 11.0843 8.01593 7.62813 3.86973 15.7177 17.788 9.73038 11.6163 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 6.00654 8.86185 8.20191 7.24545 6.94281 13.8399 6.16212 9.94177 9.58325 12.9371 numMergedOcc 0
30 mol 244 unq 0 iso 0 dist 6.51428 7.79787 13.4155 9.3491 12.2668 6.88123 4.80974 8.75742 9.45199 13.1336 numMergedOcc 0
31 mol 244 unq 1 iso 0 dist 6.51428 7.79787 13.4155 9.3491 12.2668 6.88123 13.59 18.3375 9.07512 14.895 numMergedOcc 0
32 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 6.62413 7.19269 4.49386 8.32339 7.80866 9.04147 11.0551 numMergedOcc 0
33 mol 249 unq 1 iso 0 dist 9.04715 3.67935 5.75331 6.62413 4.77145 4.49386 8.32339 13.9394 9.04147 11.0551 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 9.77392 9.0836 16.492 6.48382 16.2409 7.63149 7.52317 13.6284 6.39822 8.25286 numMergedOcc 0
35 mol 266 unq 1 iso 0 dist 9.77392 9.0836 16.492 6.48382 16.2409 7.63149 9.52953 14.9038 5.36518 9.9965 numMergedOcc 0
36 mol 266 unq 2 iso 0 dist 9.77392 9.62494 18.9489 6.48382 16.2409 4.39553 5.79323 12.7077 9.90506 6.96692 numMergedOcc 0
37 mol 266 unq 3 iso 0 dist 9.77392 9.62494 18.9489 6.48382 16.2409 4.39553 7.52317 13.6284 8.61077 8.25286 numMergedOcc 0
38 mol 266 unq 4 iso 0 dist 9.77392 9.62494 18.9489 6.48382 16.2409 4.39553 9.52953 14.9038 9.11585 9.9965 numMergedOcc 0
