0 mol 34 unq 0 iso 0 dist 4.50643 4.30086 7.78892 11.0775 14.5506 6.87871 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.67459 9.69698 8.03754 8.58709 8.75469 9.74445 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 8.03504 7.3265 8.94235 11.447 5.55161 9.70148 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 7.87739 5.33255 8.94235 5.62629 5.55161 9.70148 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 5.45684 12.0048 9.64871 10.9115 7.05519 6.6003 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 5.45684 10.7116 9.95118 10.9115 7.05519 6.44118 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 7.76644 15.2828 9.64871 14.6782 7.05519 6.6003 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 7.76644 15.7534 9.95118 14.6782 7.05519 6.44118 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.7939 10.3774 7.23812 12.1654 7.92924 6.89722 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.7939 10.3774 7.23812 7.02351 5.4653 7.26679 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.7939 10.539 5.36012 10.4593 7.09483 9.02288 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 6.7939 10.539 5.36012 16.7273 11.341 9.58544 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 6.85356 10.539 6.3777 10.4593 4.68175 9.02288 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 6.85356 10.539 6.3777 16.7273 10.0459 9.58544 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 8.44695 12.6626 7.23812 15.154 7.92924 6.89722 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 8.44695 12.6626 7.23812 13.9009 5.4653 7.26679 numMergedOcc 0
16 mol 73 unq 8 iso 0 dist 8.44695 7.03229 5.36012 14.8104 7.09483 9.02288 numMergedOcc 0
17 mol 73 unq 9 iso 0 dist 8.44695 7.03229 5.36012 15.6303 11.341 9.58544 numMergedOcc 0
18 mol 73 unq 10 iso 0 dist 5.68894 9.64124 7.23812 7.53504 7.92924 6.89722 numMergedOcc 0
19 mol 73 unq 11 iso 0 dist 5.68894 9.64124 7.23812 8.66342 5.4653 7.26679 numMergedOcc 0
20 mol 73 unq 12 iso 0 dist 5.68894 4.91508 5.36012 7.21285 7.09483 9.02288 numMergedOcc 0
21 mol 73 unq 13 iso 0 dist 5.68894 4.91508 5.36012 6.95094 11.341 9.58544 numMergedOcc 0
22 mol 73 unq 14 iso 0 dist 7.32265 4.91508 6.3777 7.21285 4.68175 9.02288 numMergedOcc 0
23 mol 73 unq 15 iso 0 dist 7.32265 4.91508 6.3777 6.95094 10.0459 9.58544 numMergedOcc 0
24 mol 73 unq 16 iso 0 dist 8.08507 9.8979 6.4104 12.6772 4.97519 9.28253 numMergedOcc 0
25 mol 79 unq 0 iso 0 dist 9.8089 11.524 8.0139 16.7559 9.59932 8.0614 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 8.75093 4.24853 8.14429 8.592 5.53478 7.25166 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 9.27341 9.50073 8.41774 8.84852 7.53439 9.10619 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 7.09439 5.30941 9.74671 5.94835 5.16703 7.07183 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 9.57625 13.0808 5.39218 15.6379 10.1832 7.31105 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 7.99609 5.01062 7.73634 7.10689 9.50337 8.7347 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 8.96263 11.9904 7.49783 18.2476 11.5364 6.56437 numMergedOcc 0
32 mol 224 unq 1 iso 0 dist 8.96263 11.9904 7.49783 14.6984 6.88745 6.23882 numMergedOcc 0
33 mol 224 unq 2 iso 0 dist 8.96263 11.9904 7.49783 15.6258 12.1666 9.53131 numMergedOcc 0
34 mol 224 unq 3 iso 0 dist 8.96263 11.9904 7.49783 9.06201 9.9943 9.34636 numMergedOcc 0
35 mol 226 unq 0 iso 0 dist 8.24741 10.78 9.14028 9.05082 12.3913 9.5723 numMergedOcc 0
36 mol 226 unq 1 iso 0 dist 5.07958 11.3247 9.14028 15.1102 12.3913 9.5723 numMergedOcc 0
37 mol 226 unq 2 iso 0 dist 6.19519 6.19485 9.14028 12.6814 12.3913 9.5723 numMergedOcc 0
38 mol 248 unq 0 iso 0 dist 7.51278 5.68749 8.98788 7.83878 4.13513 7.66519 numMergedOcc 0
39 mol 258 unq 0 iso 0 dist 8.73425 5.13233 9.04358 6.59521 5.27718 8.58088 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 9.78704 5.55516 6.11671 5.96276 7.53628 5.90381 numMergedOcc 0
41 mol 264 unq 0 iso 0 dist 7.27155 9.80039 8.91251 15.1151 11.1442 7.22789 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 7.79173 7.26296 9.65027 15.7327 14.5909 9.02749 numMergedOcc 0
43 mol 280 unq 0 iso 0 dist 6.38295 5.80223 7.96485 9.9227 11.4101 8.85762 numMergedOcc 0
