0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 10.2446 7.88043 7.45262 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 6.36911 6.06176 12.3097 8.80762 6.96586 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 7.31201 10.789 5.44992 5.72491 9.55056 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 9.36807 10.515 5.44992 5.72491 7.45262 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 3.98483 9.78006 8.04924 numMergedOcc 0
5 mol 16 unq 0 iso 0 dist 5.46498 8.41862 6.73355 6.70071 6.56335 7.40724 numMergedOcc 0
6 mol 16 unq 1 iso 0 dist 8.71745 8.16785 6.73355 4.50891 6.56335 7.40724 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 6.00575 6.60423 8.62284 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 7.88312 6.99777 11.7126 7.3094 5.72642 9.9928 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 4.91132 8.56342 5.85818 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 9.87172 6.19042 6.35763 7.61939 7.99857 9.87025 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 9.87172 7.44174 7.36192 7.61939 7.99857 5.85818 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 5.97111 8.33077 6.42785 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 5.98885 7.20046 5.4601 5.93488 6.51749 7.345 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 5.98885 7.13543 10.0524 5.93488 6.51749 9.52987 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 9.09537 7.20046 6.14208 5.93488 7.20392 7.345 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 9.09537 7.13543 5.95965 5.93488 7.20392 9.52987 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 5.59424 8.36822 5.71262 7.0057 7.24199 8.53433 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.03031 9.19704 8.66809 5.28092 8.44861 5.42696 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 7.26832 9.19704 6.23291 5.28092 5.60393 5.42696 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 8.85478 7.46831 6.67959 5.63388 6.38157 5.10114 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 10.5813 8.03442 7.1372 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 8.65997 6.95902 6.43754 7.22396 8.03442 7.1372 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 6.22714 7.49471 5.17471 10.216 5.64181 6.44735 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 7.31233 6.55759 10.4664 7.83352 5.64181 8.6597 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 7.31233 7.02475 11.2717 7.83352 5.64181 7.47235 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 7.31233 7.19008 5.17471 7.83352 5.64181 6.44735 numMergedOcc 0
27 mol 248 unq 0 iso 0 dist 7.69895 6.07192 6.48757 5.99459 6.17052 8.53148 numMergedOcc 0
28 mol 248 unq 1 iso 0 dist 7.21521 6.07192 5.51827 5.99459 9.77666 8.53148 numMergedOcc 0
29 mol 252 unq 0 iso 0 dist 8.1148 7.66365 4.23801 9.32326 6.11473 6.57207 numMergedOcc 0
30 mol 252 unq 1 iso 0 dist 8.1148 7.66365 4.23801 5.89666 8.47784 5.2361 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 7.46176 7.48005 5.79468 5.60748 8.55558 6.39918 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 5.30224 8.37865 5.31048 7.31951 8.59697 6.39918 numMergedOcc 0
33 mol 261 unq 0 iso 0 dist 9.14619 7.47164 7.49174 6.04016 5.26434 9.24121 numMergedOcc 0
34 mol 261 unq 1 iso 0 dist 8.45658 7.47164 5.22253 6.04016 8.60026 9.24121 numMergedOcc 0
35 mol 272 unq 0 iso 0 dist 9.97651 6.16449 4.72202 4.86504 9.64269 7.55161 numMergedOcc 0
36 mol 272 unq 1 iso 0 dist 8.46116 6.16449 8.52877 4.86504 8.46061 7.55161 numMergedOcc 0
37 mol 294 unq 0 iso 0 dist 8.15665 9.03492 6.17102 5.25615 9.13907 8.32473 numMergedOcc 0
