0 mol 18 unq 0 iso 0 dist 7.23594 5.16057 10.8911 8.74589 14.0058 6.01053 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 7.84796 5.49589 4.9399 10.1504 14.0449 9.39046 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.0928 6.5461 11.1954 11.4478 17.778 8.40483 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 8.24879 6.13256 7.78921 6.20767 12.2152 7.11686 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 8.24879 6.13256 7.78921 4.54351 12.7341 9.43467 numMergedOcc 0
5 mol 54 unq 2 iso 0 dist 8.24879 6.13256 7.78921 6.5716 11.5304 8.41018 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 7.67586 7.89524 6.34565 6.31331 11.6226 8.0413 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 7.28711 5.21227 6.76794 11.8177 15.8388 9.61935 numMergedOcc 0
8 mol 108 unq 0 iso 0 dist 5.95326 5.25296 6.75224 4.35084 9.58358 9.13454 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 5.87387 9.0904 9.48108 5.51609 10.1937 8.06359 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 6.06543 9.0904 3.9247 5.51609 7.35754 8.06359 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 9.05666 6.08455 10.375 5.64431 5.59424 8.63044 numMergedOcc 0
12 mol 196 unq 0 iso 0 dist 6.60651 8.94535 10.8619 7.08535 12.2168 6.11835 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 7.69537 8.26636 4.32714 5.41675 6.61986 7.80754 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 7.69537 7.02669 8.95149 5.41675 6.61986 8.20295 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 9.93154 9.92621 10.2987 6.02375 10.4905 6.40086 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 9.18218 9.92621 14.5919 6.02375 11.0431 6.40086 numMergedOcc 0
17 mol 227 unq 2 iso 0 dist 6.18486 9.92621 14.3995 6.02375 10.0334 6.40086 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 9.78185 6.35781 6.56535 6.79692 7.19638 7.48298 numMergedOcc 0
19 mol 252 unq 1 iso 0 dist 9.78185 8.06117 4.51829 6.79692 7.19638 8.9483 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 9.54236 9.97008 16.0975 13.6033 22.4943 8.97468 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 9.58494 6.95272 7.41825 5.81569 11.9259 5.77089 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 7.92491 5.34771 6.79513 5.90483 13.1795 8.25636 numMergedOcc 0
23 mol 283 unq 1 iso 0 dist 7.92491 9.2825 11.9095 11.0012 17.2644 9.51557 numMergedOcc 0
