0 mol 55 unq 0 iso 0 dist 7.58788 11.7622 9.70148 12.4931 5.55161 8.94235 15.1289 11.447 7.3265 8.03504 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 7.58788 11.7622 9.70148 12.4931 5.55161 8.94235 6.63489 5.62629 5.33255 7.87739 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 7.8986 9.48441 6.6003 8.52643 7.05519 9.64871 7.59945 10.9115 12.0048 5.45684 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 7.8986 9.48441 6.6003 8.52643 7.05519 9.64871 13.3239 14.6782 15.2828 7.76644 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 7.8986 4.76091 6.44118 8.52643 7.05519 9.95118 7.59945 10.9115 10.7116 5.45684 numMergedOcc 0
5 mol 64 unq 3 iso 0 dist 7.8986 4.76091 6.44118 8.52643 7.05519 9.95118 13.3239 14.6782 15.7534 7.76644 numMergedOcc 0
6 mol 64 unq 4 iso 0 dist 7.24183 6.41829 6.6003 5.41357 7.05519 9.64871 5.65551 10.9115 12.0048 5.45684 numMergedOcc 0
7 mol 64 unq 5 iso 0 dist 7.24183 6.41829 6.6003 5.41357 7.05519 9.64871 9.81422 14.6782 15.2828 7.76644 numMergedOcc 0
8 mol 64 unq 6 iso 0 dist 7.24183 6.13923 6.44118 5.41357 7.05519 9.95118 5.65551 10.9115 10.7116 5.45684 numMergedOcc 0
9 mol 64 unq 7 iso 0 dist 7.24183 6.13923 6.44118 5.41357 7.05519 9.95118 9.81422 14.6782 15.7534 7.76644 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.39171 10.5627 6.89722 13.1329 7.92924 7.23812 16.1129 12.1654 10.3774 6.7939 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 5.39171 10.5627 6.89722 13.1329 7.92924 7.23812 20.512 15.154 12.6626 8.44695 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 5.39171 10.5627 6.89722 13.1329 7.92924 7.23812 12.6081 7.53504 9.64124 5.68894 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.27355 10.5627 7.26679 13.1329 5.4653 7.23812 16.1129 7.02351 10.3774 6.7939 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 9.27355 10.5627 7.26679 13.1329 5.4653 7.23812 20.512 13.9009 12.6626 8.44695 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 9.27355 10.5627 7.26679 13.1329 5.4653 7.23812 12.6081 8.66342 9.64124 5.68894 numMergedOcc 0
16 mol 73 unq 6 iso 0 dist 8.60363 16.3515 9.02288 13.1329 7.09483 5.36012 16.1129 10.4593 10.539 6.7939 numMergedOcc 0
17 mol 73 unq 7 iso 0 dist 8.60363 16.3515 9.02288 13.1329 7.09483 5.36012 20.512 14.8104 7.03229 8.44695 numMergedOcc 0
18 mol 73 unq 8 iso 0 dist 8.60363 16.3515 9.02288 13.1329 7.09483 5.36012 12.6081 7.21285 4.91508 5.68894 numMergedOcc 0
19 mol 73 unq 9 iso 0 dist 8.60363 16.3515 9.02288 12.702 4.68175 6.3777 16.1129 10.4593 10.539 6.85356 numMergedOcc 0
20 mol 73 unq 10 iso 0 dist 8.60363 16.3515 9.02288 12.702 4.68175 6.3777 12.6081 7.21285 4.91508 7.32265 numMergedOcc 0
21 mol 73 unq 11 iso 0 dist 9.27331 12.3394 9.02288 11.8571 7.09483 5.36012 10.345 10.4593 10.539 6.7939 numMergedOcc 0
22 mol 73 unq 12 iso 0 dist 9.27331 12.3394 9.02288 11.8571 7.09483 5.36012 18.2175 14.8104 7.03229 8.44695 numMergedOcc 0
23 mol 73 unq 13 iso 0 dist 9.27331 12.3394 9.02288 11.8571 7.09483 5.36012 14.1204 7.21285 4.91508 5.68894 numMergedOcc 0
24 mol 73 unq 14 iso 0 dist 9.27331 12.3394 9.02288 7.45777 4.68175 6.3777 10.345 10.4593 10.539 6.85356 numMergedOcc 0
25 mol 73 unq 15 iso 0 dist 9.27331 12.3394 9.02288 7.45777 4.68175 6.3777 14.1204 7.21285 4.91508 7.32265 numMergedOcc 0
26 mol 73 unq 16 iso 0 dist 5.92936 7.52996 9.28253 7.48556 4.97519 6.4104 15.0455 12.6772 9.8979 8.08507 numMergedOcc 0
27 mol 73 unq 17 iso 0 dist 8.4438 15.6609 9.28253 12.8483 4.97519 6.4104 19.2081 12.6772 9.8979 8.08507 numMergedOcc 0
28 mol 114 unq 0 iso 0 dist 5.31281 7.65733 7.25166 9.45174 5.53478 8.14429 7.22809 8.592 4.24853 8.75093 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 9.89311 14.1114 7.07183 13.3095 5.16703 9.74671 11.7852 5.94835 5.30941 7.09439 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 7.57712 6.19375 7.31105 5.25149 10.1832 5.39218 8.17619 15.6379 13.0808 9.57625 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 7.58998 6.87755 6.23882 6.23677 6.88745 7.49783 8.8161 14.6984 11.9904 8.96263 numMergedOcc 0
32 mol 226 unq 0 iso 0 dist 7.20862 10.5706 9.5723 16.5565 12.3913 9.14028 15.6116 9.05082 10.78 8.24741 numMergedOcc 0
33 mol 226 unq 1 iso 0 dist 7.20862 10.5706 9.5723 16.5565 12.3913 9.14028 19.9857 15.1102 11.3247 5.07958 numMergedOcc 0
34 mol 226 unq 2 iso 0 dist 7.20862 10.5706 9.5723 16.5565 12.3913 9.14028 13.9403 12.6814 6.19485 6.19519 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 7.70189 9.78068 8.58088 8.10903 5.27718 9.04358 5.79358 6.59521 5.13233 8.73425 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 6.12202 7.23876 9.02749 15.5776 14.5909 9.65027 14.4162 15.7327 7.26296 7.79173 numMergedOcc 0
37 mol 280 unq 0 iso 0 dist 7.3304 7.26698 8.85762 14.1864 11.4101 7.96485 10.5216 9.9227 5.80223 6.38295 numMergedOcc 0
