0 mol 0 unq 0 iso 0 dist 6.94181 8.65478 14.554 5.47921 7.15528 13.6209 10.651 7.19817 18.3948 9.6994 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.17086 9.79386 12.6657 5.90113 8.80331 9.02471 10.615 8.13395 14.0654 6.20293 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.54183 9.63616 15.3154 5.65405 8.10861 8.31068 14.4402 16.3192 11.6538 9.5589 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 6.54183 9.63616 15.3154 5.65405 8.10861 8.31068 10.5929 14.2075 7.15034 6.83299 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 6.68311 5.19407 4.7874 15.0607 9.96708 14.6356 10.1663 8.24309 10.3016 9.78528 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.124 5.7576 5.17781 13.4367 6.19304 11.3218 10.1112 5.4148 4.73407 9.96396 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.124 5.7576 5.17781 13.4367 6.19304 11.3218 19.5696 13.3558 17.5556 8.70481 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 8.46684 9.22398 4.18693 5.14332 6.90986 9.28256 9.47822 10.498 14.1439 7.11972 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 8.81172 8.16392 11.1642 5.34484 9.84395 10.1696 11.6152 13.1058 17.8609 7.90328 numMergedOcc 0
9 mol 205 unq 0 iso 0 dist 6.15806 4.29411 4.30308 10.6362 7.26832 9.44789 12.9169 7.38516 9.96193 6.03031 numMergedOcc 0
10 mol 205 unq 1 iso 0 dist 6.15806 4.29411 4.30308 10.6362 7.26832 9.44789 17.5925 13.8543 15.3137 7.80463 numMergedOcc 0
11 mol 231 unq 0 iso 0 dist 8.91036 6.8533 6.63423 10.613 7.37839 7.3268 12.2364 4.06055 10.3815 8.40182 numMergedOcc 0
12 mol 253 unq 0 iso 0 dist 9.02643 8.24401 13.6258 8.25257 8.31064 13.2556 8.68368 8.02948 9.11811 6.73034 numMergedOcc 0
13 mol 253 unq 1 iso 0 dist 9.02643 8.44543 10.0874 8.25257 8.31064 10.8753 8.68368 8.02948 5.10494 6.73034 numMergedOcc 0
14 mol 253 unq 2 iso 0 dist 8.68368 8.24401 9.11811 8.25257 6.73034 13.2556 9.02643 8.02948 13.6258 8.31064 numMergedOcc 0
15 mol 253 unq 3 iso 0 dist 8.68368 8.44543 5.10494 8.25257 6.73034 10.8753 9.02643 8.02948 10.0874 8.31064 numMergedOcc 0
16 mol 276 unq 0 iso 0 dist 8.79189 9.33041 8.751 6.33662 6.87396 11.0126 13.9936 6.88557 10.9244 9.8993 numMergedOcc 0
17 mol 276 unq 1 iso 0 dist 8.79189 8.7117 9.69096 6.33662 6.87396 12.9618 13.9936 6.88557 15.7346 9.8993 numMergedOcc 0
