0 mol 7 unq 0 iso 0 dist 8.23909 13.7145 6.02702 13.1861 6.58469 8.60435 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.72215 6.11915 6.02702 9.54727 6.58469 8.60435 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 7.45487 7.07501 7.18019 12.4302 7.17012 7.27018 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.90845 14.9821 8.60554 19.3036 11.2106 4.90592 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.90845 14.9821 8.60554 5.78238 5.97304 9.36461 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 9.90845 18.8056 9.44691 19.3036 11.2106 8.16324 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.89722 11.5412 9.24757 13.0088 8.26458 6.48232 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 7.26679 11.2253 9.24757 10.5067 8.26458 6.48232 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.86724 5.97684 5.9465 13.0825 5.69731 9.05259 numMergedOcc 0
9 mol 108 unq 0 iso 0 dist 7.29462 4.70778 9.01852 7.96745 9.53349 6.12967 numMergedOcc 0
10 mol 108 unq 1 iso 0 dist 5.4057 6.76634 9.01852 10.5112 9.53349 6.12967 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 8.42445 12.5697 6.84011 19.419 11.177 9.17466 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 6.49205 6.25204 8.00003 9.09364 5.75886 7.12072 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 9.42766 13.1831 6.52773 10.1832 3.78311 8.8562 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 9.42766 6.34278 9.23858 10.1832 3.78311 7.91683 numMergedOcc 0
15 mol 126 unq 0 iso 0 dist 9.06961 4.43093 6.30546 8.8359 5.5703 5.94233 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 8.54461 7.91054 8.78276 16.7453 13.4409 9.13191 numMergedOcc 0
17 mol 130 unq 1 iso 0 dist 7.83619 7.91054 7.96646 16.7453 14.206 9.13191 numMergedOcc 0
18 mol 130 unq 2 iso 0 dist 9.91643 11.6197 7.96646 14.8448 14.206 9.13191 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 8.97145 4.17212 8.70296 9.77097 7.73656 6.48674 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 6.5874 9.64263 8.70296 12.3744 7.73656 6.48674 numMergedOcc 0
21 mol 135 unq 0 iso 0 dist 6.5228 5.14857 5.62052 6.80457 5.66293 9.40325 numMergedOcc 0
22 mol 135 unq 1 iso 0 dist 6.5228 5.14857 5.62052 12.5486 7.79226 8.25527 numMergedOcc 0
23 mol 135 unq 2 iso 0 dist 6.5228 5.14857 5.62052 13.4123 13.2293 8.83856 numMergedOcc 0
24 mol 135 unq 3 iso 0 dist 6.5228 5.26692 7.90563 6.80457 5.66293 7.62606 numMergedOcc 0
25 mol 175 unq 0 iso 0 dist 9.00898 10.5222 9.39352 5.32236 4.24624 9.71028 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 9.8711 4.39102 6.59716 6.50846 6.17628 5.37796 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 8.7347 15.9714 9.07471 12.5498 6.42798 9.08955 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 9.5723 7.93097 6.11704 5.01717 6.05184 6.26945 numMergedOcc 0
29 mol 248 unq 0 iso 0 dist 7.66519 5.81577 7.16525 7.21518 6.71566 7.97135 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 8.1498 7.43256 6.71375 10.5179 7.4402 8.85062 numMergedOcc 0
31 mol 278 unq 0 iso 0 dist 9.82774 11.9007 8.00673 11.8926 6.54009 7.21972 numMergedOcc 0
32 mol 284 unq 0 iso 0 dist 8.27793 6.96183 9.33437 15.3975 11.8906 9.63007 numMergedOcc 0
