0 mol 16 unq 0 iso 0 dist 5.59641 6.32791 5.59769 11.1182 12.2105 7.65889 15.6671 15.5001 10.2656 6.42835 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.03281 8.46842 9.36442 16.8735 18.4003 9.48085 17.4161 18.4872 10.9391 9.49421 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.56621 9.74289 7.1369 5.37144 6.37273 7.39665 13.3899 8.66168 14.224 9.8703 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 8.11268 7.09258 7.06403 7.54321 12.077 6.21799 13.6285 11.4371 7.04035 9.74228 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 8.11268 7.09258 7.06403 7.54321 12.077 6.21799 13.592 14.5236 8.24309 7.12321 numMergedOcc 0
5 mol 72 unq 2 iso 0 dist 8.11268 7.09258 7.06403 5.2819 10.4135 5.03251 12.0429 9.75606 5.8486 9.56773 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.60664 7.28058 4.49951 10.8484 9.37392 5.61588 13.3369 10.1233 8.07446 5.5087 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 5.60664 7.28058 4.49951 14.7963 11.6626 7.83244 13.3369 10.1233 8.07446 6.08682 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 8.01128 9.48388 14.8937 4.54306 11.9765 7.78931 10.5303 12.1337 14.591 9.64383 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 8.01128 9.48388 14.8937 4.54306 11.9765 7.78931 11.233 17.6635 5.02887 7.54889 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 8.01128 9.48388 14.8937 10.9661 18.6034 8.7497 12.9741 20.85 10.2427 5.10496 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 8.01128 9.48388 14.8937 10.9661 18.6034 8.7497 15.2644 22.4301 13.9786 5.92242 numMergedOcc 0
12 mol 98 unq 4 iso 0 dist 8.01128 9.48388 14.8937 10.9661 18.6034 8.7497 11.233 17.6635 5.02887 5.2571 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.63478 9.45717 11.1611 5.815 14.0779 9.05342 11.7225 15.4455 5.61668 8.26547 numMergedOcc 0
14 mol 170 unq 0 iso 0 dist 7.70662 7.665 8.83341 5.03025 8.95292 9.08274 12.2299 11.2005 8.56034 9.51256 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 9.79506 7.17987 9.8423 12.4759 17.0552 7.81215 12.6184 19.7404 10.2693 5.64285 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 5.11475 6.66602 5.11257 12.6107 13.3355 9.58916 13.6132 13.9464 8.96144 5.90924 numMergedOcc 0
17 mol 264 unq 1 iso 0 dist 5.11475 6.66602 5.11257 12.6107 13.3355 9.58916 18.2663 18.692 14.3597 5.90058 numMergedOcc 0
