0 mol 12 unq 0 iso 0 dist 6.05244 5.12292 6.96422 10.7889 9.90835 8.15488 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 8.90496 5.40424 6.93185 4.2995 5.63735 4.20216 numMergedOcc 0
2 mol 21 unq 1 iso 0 dist 8.90496 5.40424 6.93185 8.74733 6.28263 4.28381 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.69142 14.1116 7.3022 4.18634 6.07276 10.267 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.01993 4.71045 7.22361 6.14353 9.36924 4.15342 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 9.01993 14.5668 6.15893 6.14353 9.36924 12.8622 numMergedOcc 0
6 mol 26 unq 3 iso 0 dist 8.43523 6.23975 7.3022 12.7209 6.07276 10.267 numMergedOcc 0
7 mol 39 unq 0 iso 0 dist 8.4436 9.57623 6.24515 6.34412 8.20298 5.94068 numMergedOcc 0
8 mol 39 unq 1 iso 0 dist 8.4436 9.57623 6.24515 4.16606 6.13351 6.96883 numMergedOcc 0
9 mol 39 unq 2 iso 0 dist 8.4436 6.16075 6.47855 6.34412 8.20298 6.19061 numMergedOcc 0
10 mol 39 unq 3 iso 0 dist 8.4436 6.16075 6.47855 4.16606 6.13351 5.88718 numMergedOcc 0
11 mol 46 unq 0 iso 0 dist 8.12513 10.2582 6.61977 12.0488 5.96231 7.09057 numMergedOcc 0
12 mol 46 unq 1 iso 0 dist 6.9762 4.92196 6.61977 6.50598 5.96231 7.09057 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 5.20528 9.30804 6.05495 4.78636 5.05893 7.2898 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 5.20528 9.30804 6.05495 7.24335 5.71866 4.13305 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 4.89256 5.21787 6.98158 6.15201 9.59437 7.201 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 7.85849 14.3338 8.55616 15.9796 9.0176 9.48887 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 7.85849 13.386 8.73604 15.9796 9.0176 5.67107 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 6.08299 5.2893 8.55616 11.6261 9.0176 9.48887 numMergedOcc 0
19 mol 134 unq 3 iso 0 dist 6.08299 11.8215 8.73604 11.6261 9.0176 5.67107 numMergedOcc 0
20 mol 135 unq 0 iso 0 dist 5.95344 6.9257 9.15377 11.4432 7.28318 9.89298 numMergedOcc 0
21 mol 135 unq 1 iso 0 dist 7.8687 9.71714 9.15377 11.8717 7.28318 9.89298 numMergedOcc 0
22 mol 146 unq 0 iso 0 dist 8.73563 6.21982 6.50043 11.9684 9.23136 5.93846 numMergedOcc 0
23 mol 146 unq 1 iso 0 dist 9.64915 5.91626 6.50043 9.15092 9.23136 5.93846 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 6.19189 9.94791 9.84492 12.9635 9.99396 6.00734 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 8.34668 4.34714 9.84492 4.68208 9.99396 6.00734 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 8.05594 7.34343 7.73748 4.36059 7.7086 6.24324 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 6.59092 5.35494 8.85779 4.3735 5.61969 4.42663 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 5.02385 7.9872 9.24367 5.4988 9.42255 10.5027 numMergedOcc 0
