0 mol 53 unq 0 iso 0 dist 8.83047 8.60221 4.75776 5.86191 6.2676 5.04054 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 6.95013 9.61297 4.75776 8.21791 6.2676 5.04054 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 6.78356 7.66366 6.91393 11.5077 5.07125 8.12964 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 6.78356 5.79574 8.40038 11.5077 5.07125 11.6453 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.91206 16.3838 8.58543 13.1036 7.69861 5.24993 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.67513 10.3777 8.58543 7.16384 7.69861 5.24993 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 8.99731 4.64486 8.71286 6.3642 8.4965 8.80697 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.84146 16.2159 8.03035 15.9454 9.6121 6.71103 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.84146 16.2159 8.03035 17.7274 9.57341 6.29394 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 8.84146 11.6573 7.6968 15.9454 9.6121 12.4868 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 8.84146 11.6573 7.6968 17.7274 9.57341 9.64502 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 6.93136 6.36527 5.73236 9.88555 7.16698 6.55089 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 6.93136 6.36527 5.73236 12.1494 8.68663 6.16103 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.19078 6.79236 6.39031 9.3543 6.92726 5.55763 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 6.31314 11.8677 9.14458 5.93188 9.82982 17.2648 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 8.27428 11.3139 8.5865 17.7411 9.79338 14.8261 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 4.97005 10.0516 7.55358 10.2673 8.57801 13.0608 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 4.97005 5.57831 7.60991 10.2673 8.57801 11.868 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 8.63008 10.3444 5.52678 5.39223 5.53324 5.28603 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 8.63008 10.3444 5.52678 11.8568 6.72182 9.8803 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 8.63008 14.1482 9.81666 5.39223 5.53324 11.0713 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 8.63008 14.1482 9.81666 11.8568 6.72182 15.9964 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.33735 10.8608 9.56257 13.5696 5.28771 11.2819 numMergedOcc 0
23 mol 237 unq 0 iso 0 dist 7.68769 16.3643 9.84466 12.2324 8.7414 9.39277 numMergedOcc 0
24 mol 237 unq 1 iso 0 dist 7.68769 12.532 6.16557 12.2324 8.7414 5.1975 numMergedOcc 0
25 mol 237 unq 2 iso 0 dist 7.68769 7.41102 5.4813 12.2324 8.7414 5.69816 numMergedOcc 0
26 mol 251 unq 0 iso 0 dist 5.0953 3.92576 8.53757 5.04918 6.42747 8.08775 numMergedOcc 0
27 mol 260 unq 0 iso 0 dist 8.54084 9.2012 8.3149 4.35925 9.65775 13.067 numMergedOcc 0
28 mol 260 unq 1 iso 0 dist 8.54084 9.2012 8.3149 13.8859 9.50634 5.38958 numMergedOcc 0
29 mol 284 unq 0 iso 0 dist 5.68818 13.0591 7.97588 14.1802 9.07503 5.54893 numMergedOcc 0
30 mol 284 unq 1 iso 0 dist 5.68818 13.0591 7.97588 11.9492 7.63256 3.89435 numMergedOcc 0
