0 mol 6 unq 0 iso 0 dist 7.6948 6.67429 8.31647 11.4314 5.59667 8.17981 7.46244 7.50895 7.54484 9.62952 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 8.58468 9.26114 7.34681 16.6039 9.4204 9.26685 17.5525 11.8805 8.6745 4.86775 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 9.76497 5.38502 8.6232 7.31253 5.10048 6.72231 9.83589 7.04837 7.63222 3.5175 numMergedOcc 0
3 mol 21 unq 1 iso 0 dist 9.76497 5.38502 8.6232 13.1141 5.89271 9.50179 9.83589 7.04837 7.63222 6.55764 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.99735 13.11 9.53081 14.2052 13.2937 8.36915 12.802 5.93341 6.68961 10.9119 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 7.99735 13.11 9.53081 7.77714 5.41488 6.01454 12.802 5.93341 6.68961 6.1565 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 9.7516 4.99432 9.53081 10.7326 13.2937 8.36915 9.89701 5.93341 6.68961 10.9119 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 9.7516 4.99432 9.53081 6.46118 5.41488 6.01454 9.89701 5.93341 6.68961 6.1565 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.63813 8.65163 5.73235 10.5228 5.22567 7.02854 12.4285 6.1999 6.14248 8.66335 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 9.20977 6.84485 9.39389 7.79845 10.8474 8.15549 13.1912 7.69707 8.62632 12.032 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.61918 15.392 9.2759 16.3752 10.8516 5.12189 9.77959 4.85121 5.9959 6.95933 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 8.61918 15.392 9.2759 9.71281 5.35551 7.50126 9.77959 4.85121 5.9959 5.30466 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.25968 10.9848 9.88178 11.2782 6.01484 7.85526 10.2034 7.45747 5.20195 4.77133 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.25968 10.9848 9.88178 14.045 10.6104 5.33543 10.2034 7.45747 5.20195 4.56331 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 6.33118 8.85571 9.96635 10.8909 10.9312 7.07348 10.297 5.47558 9.53944 8.38939 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 7.90753 7.11843 9.40718 9.02183 5.15002 6.47689 11.369 9.76508 8.39573 5.71744 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 6.77267 4.43495 7.58554 10.0379 5.94643 9.59937 10.0981 7.26668 7.98794 3.80345 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 7.87577 4.69752 8.10903 10.6825 10.8957 6.08181 13.0953 8.78474 9.6327 6.49094 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 7.87577 4.69752 8.10903 8.8726 5.27718 7.70189 13.0953 8.78474 9.6327 8.08023 numMergedOcc 0
19 mol 258 unq 2 iso 0 dist 5.86702 4.69752 7.25618 10.6825 11.0025 6.08181 13.0953 11.3267 9.6327 6.49094 numMergedOcc 0
20 mol 258 unq 3 iso 0 dist 5.86702 4.69752 7.25618 8.8726 9.46467 7.70189 13.0953 11.3267 9.6327 8.08023 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 6.51561 5.44638 5.83342 10.8619 6.00343 9.57857 10.8337 4.65271 9.53621 7.41522 numMergedOcc 0
22 mol 292 unq 1 iso 0 dist 6.51561 5.44638 5.83342 10.8619 6.00343 9.57857 9.18386 5.90311 9.24101 11.2641 numMergedOcc 0
