0 mol 75 unq 0 iso 0 dist 8.47416 12.4295 9.4871 16.2501 12.9138 6.13936 numMergedOcc 0
1 mol 83 unq 0 iso 0 dist 8.79457 4.07807 7.38379 11.4966 6.31825 9.51347 numMergedOcc 0
2 mol 83 unq 1 iso 0 dist 9.25264 11.1783 7.38379 6.55004 6.31825 9.51347 numMergedOcc 0
3 mol 83 unq 2 iso 0 dist 9.94635 11.0193 7.09118 8.48766 5.97999 6.24063 numMergedOcc 0
4 mol 83 unq 3 iso 0 dist 9.94635 11.0193 7.09118 13.4311 3.93734 9.49925 numMergedOcc 0
5 mol 83 unq 4 iso 0 dist 9.94635 11.0193 7.09118 10.9054 3.82401 9.38099 numMergedOcc 0
6 mol 83 unq 5 iso 0 dist 9.94635 11.0193 7.09118 13.7617 8.59639 8.76065 numMergedOcc 0
7 mol 83 unq 6 iso 0 dist 9.94635 11.0193 7.09118 14.2582 10.1485 5.49193 numMergedOcc 0
8 mol 108 unq 0 iso 0 dist 6.23711 9.46026 9.54994 6.79804 9.59715 9.71442 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 9.13829 5.1682 9.32166 14.2569 11.5208 9.975 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 6.84082 5.1682 5.92729 14.2569 9.01154 9.975 numMergedOcc 0
11 mol 120 unq 2 iso 0 dist 8.66256 6.27735 5.92729 15.476 9.01154 9.975 numMergedOcc 0
12 mol 120 unq 3 iso 0 dist 5.90276 8.25036 9.32166 15.1142 11.5208 9.975 numMergedOcc 0
13 mol 120 unq 4 iso 0 dist 8.08194 8.25036 5.92729 15.1142 9.01154 9.975 numMergedOcc 0
14 mol 120 unq 5 iso 0 dist 9.89622 12.6035 5.92729 18.8769 9.01154 9.975 numMergedOcc 0
15 mol 120 unq 6 iso 0 dist 8.565 17.4169 9.32166 18.7653 11.5208 9.975 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 9.64841 11.4158 6.49708 14.7026 8.01647 5.29515 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 9.5865 11.4182 6.45018 14.7018 8.04275 5.16917 numMergedOcc 0
18 mol 151 unq 0 iso 0 dist 8.13302 14.3361 9.07182 11.5399 4.53999 5.78631 numMergedOcc 0
19 mol 151 unq 1 iso 0 dist 5.11555 7.48212 9.07182 5.89907 4.53999 5.78631 numMergedOcc 0
20 mol 151 unq 2 iso 0 dist 8.29457 10.4263 9.07182 10.0709 4.53999 5.78631 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 9.2747 9.06963 7.75632 15.9117 11.1953 7.11599 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 8.49856 6.61278 6.59925 11.2285 11.1811 5.32236 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.71602 10.2652 7.9637 18.4823 12.9786 8.83254 numMergedOcc 0
24 mol 219 unq 0 iso 0 dist 8.15287 13.6251 9.09124 18.1143 12.1477 9.86313 numMergedOcc 0
25 mol 219 unq 1 iso 0 dist 8.72341 13.0856 9.09124 14.5249 12.1477 9.86313 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 8.99259 7.06191 9.94302 11.8828 13.9288 5.05201 numMergedOcc 0
27 mol 230 unq 0 iso 0 dist 8.74988 4.97784 7.81987 11.236 5.71181 8.02209 numMergedOcc 0
