0 mol 33 unq 0 iso 0 dist 9.6595 9.14656 4.64187 6.2086 4.78873 3.60218 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 7.51631 4.60844 8.19932 8.24064 7.7485 7.98805 numMergedOcc 0
2 mol 101 unq 0 iso 0 dist 9.05284 12.1065 9.33112 7.47175 8.19144 7.5541 numMergedOcc 0
3 mol 107 unq 0 iso 0 dist 7.09988 7.15039 5.31375 7.96442 8.88124 9.65216 numMergedOcc 0
4 mol 107 unq 1 iso 0 dist 7.09988 7.15039 5.31375 14.3565 8.19484 8.32169 numMergedOcc 0
5 mol 107 unq 2 iso 0 dist 7.09988 12.4206 6.49371 7.96442 8.88124 10.4294 numMergedOcc 0
6 mol 107 unq 3 iso 0 dist 7.09988 12.4206 6.49371 14.3565 8.19484 3.40943 numMergedOcc 0
7 mol 107 unq 4 iso 0 dist 7.73898 4.80846 5.31375 6.37998 8.88124 9.65216 numMergedOcc 0
8 mol 107 unq 5 iso 0 dist 7.73898 4.80846 5.31375 11.5335 8.19484 8.32169 numMergedOcc 0
9 mol 107 unq 6 iso 0 dist 7.73898 9.55354 6.49371 6.37998 8.88124 10.4294 numMergedOcc 0
10 mol 107 unq 7 iso 0 dist 7.73898 9.55354 6.49371 11.5335 8.19484 3.40943 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 6.36631 13.8532 8.67025 5.86518 5.31126 9.59189 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 6.36631 13.8532 8.67025 4.8668 4.49669 10.1118 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 6.36631 13.8532 8.67025 8.60367 6.00221 8.19901 numMergedOcc 0
14 mol 113 unq 3 iso 0 dist 6.24308 11.2557 9.60127 5.86518 7.16619 13.8379 numMergedOcc 0
15 mol 113 unq 4 iso 0 dist 6.24308 11.2557 9.60127 4.8668 5.88896 8.39067 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 8.83566 12.2757 9.87354 6.28158 6.55227 6.51576 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 6.85177 5.68862 7.65903 5.73931 5.10589 3.18152 numMergedOcc 0
18 mol 169 unq 1 iso 0 dist 8.88729 5.68862 5.97653 5.73931 4.63336 3.18152 numMergedOcc 0
19 mol 169 unq 2 iso 0 dist 7.07933 6.43144 9.06172 12.9917 6.96715 13.5169 numMergedOcc 0
20 mol 169 unq 3 iso 0 dist 7.07933 6.37039 8.93091 12.9917 6.96715 14.673 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 9.32969 13.385 4.45769 7.35757 5.10542 9.23342 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 9.32969 17.9971 8.99961 7.35757 5.10542 11.7699 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 8.47283 5.10199 7.98864 10.816 9.93489 5.80328 numMergedOcc 0
24 mol 204 unq 1 iso 0 dist 8.47283 5.10199 7.98864 4.27546 7.64057 3.68217 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 7.93054 5.055 7.66702 4.26898 7.42759 3.64285 numMergedOcc 0
26 mol 254 unq 0 iso 0 dist 8.80049 5.08612 5.6417 13.8734 7.85841 8.8967 numMergedOcc 0
27 mol 254 unq 1 iso 0 dist 8.80049 5.08612 5.6417 15.5851 9.20109 10.929 numMergedOcc 0
28 mol 254 unq 2 iso 0 dist 8.80049 5.81569 7.42831 13.8734 7.85841 9.42679 numMergedOcc 0
29 mol 254 unq 3 iso 0 dist 8.80049 5.81569 7.42831 15.5851 9.20109 10.706 numMergedOcc 0
30 mol 260 unq 0 iso 0 dist 4.54064 4.87707 8.51564 8.11438 7.04263 8.22506 numMergedOcc 0
31 mol 260 unq 1 iso 0 dist 4.54064 4.87707 8.51564 3.43932 6.48099 3.68866 numMergedOcc 0
32 mol 260 unq 2 iso 0 dist 5.33881 9.31424 9.73217 12.1108 8.62655 15.6308 numMergedOcc 0
33 mol 260 unq 3 iso 0 dist 5.33881 10.8164 7.49606 12.1108 8.62655 7.35802 numMergedOcc 0
34 mol 260 unq 4 iso 0 dist 5.33881 8.53278 8.06377 12.1108 8.62655 10.4054 numMergedOcc 0
35 mol 266 unq 0 iso 0 dist 7.96613 8.86075 7.72861 6.80038 7.8598 3.14784 numMergedOcc 0
36 mol 266 unq 1 iso 0 dist 7.96613 8.86075 7.72861 4.5731 7.80711 5.95721 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 8.70774 5.62605 5.13533 14.9564 7.98956 10.5214 numMergedOcc 0
38 mol 285 unq 0 iso 0 dist 5.93983 7.67857 7.73438 8.32005 5.88958 10.5542 numMergedOcc 0
39 mol 285 unq 1 iso 0 dist 5.93983 7.67857 7.73438 7.07384 7.78121 12.5361 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 8.27196 4.38471 6.22311 4.69872 6.24487 5.96434 numMergedOcc 0
41 mol 288 unq 0 iso 0 dist 8.27196 4.38471 6.22311 4.69872 6.24487 5.96434 numMergedOcc 0
42 mol 289 unq 0 iso 0 dist 8.27196 4.38471 6.22311 4.69872 6.24487 5.96434 numMergedOcc 0
