0 mol 12 unq 0 iso 0 dist 8.8993 9.41745 6.7002 10.964 9.42122 15.4336 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 6.22911 8.61163 4.43656 9.18121 7.57267 10.6776 numMergedOcc 0
2 mol 53 unq 1 iso 0 dist 6.76484 7.80805 4.43656 6.53895 7.57267 10.6776 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.46263 7.51978 9.65953 6.11985 5.76314 6.13476 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.22841 8.60577 6.59479 9.33927 9.4196 12.1803 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 5.74014 8.60577 4.91166 9.33927 7.61513 12.1803 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 8.56547 7.47827 7.45926 7.15993 8.42914 8.00525 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 5.23177 7.47827 5.55005 7.15993 8.17327 8.00525 numMergedOcc 0
8 mol 91 unq 2 iso 0 dist 6.77052 7.47827 9.57561 7.15993 9.52936 8.00525 numMergedOcc 0
9 mol 91 unq 3 iso 0 dist 9.23907 7.28711 5.27581 15.5613 8.42914 13.301 numMergedOcc 0
10 mol 91 unq 4 iso 0 dist 9.23907 7.28711 5.27581 16.4816 8.17327 12.4115 numMergedOcc 0
11 mol 91 unq 5 iso 0 dist 9.23907 7.28711 5.27581 18.1522 9.52936 14.4611 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 7.3098 5.09688 5.06206 6.99392 9.86236 9.62218 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 9.90038 9.91446 11.7157 10.5642 9.86236 17.9671 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 9.90038 9.26343 5.06206 10.5642 9.86236 9.62218 numMergedOcc 0
15 mol 125 unq 0 iso 0 dist 9.06392 8.38646 16.5045 5.29844 7.0188 10.0351 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 7.65424 4.93035 4.93029 12.8035 9.1717 12.8991 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 7.65424 4.93035 4.93029 9.85394 8.8319 11.6196 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 7.65424 9.75558 10.28 12.8035 9.1717 18.8257 numMergedOcc 0
19 mol 141 unq 3 iso 0 dist 7.65424 9.75558 10.28 9.85394 8.8319 17.7101 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 5.79795 6.01118 6.96904 7.09944 7.55683 5.41229 numMergedOcc 0
21 mol 182 unq 0 iso 0 dist 6.06892 7.8621 11.8631 10.5943 7.37431 15.765 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.46429 5.63906 7.37734 9.43017 6.23859 11.7288 numMergedOcc 0
23 mol 196 unq 0 iso 0 dist 7.21836 6.60651 12.7415 6.29554 9.67795 6.40064 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 6.4889 9.78185 9.42665 4.26558 8.80432 12.2862 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 7.07268 8.27977 4.51764 11.9125 9.5174 7.63115 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 9.24924 7.92491 7.62155 16.0925 9.74822 16.7135 numMergedOcc 0
