0 mol 43 unq 0 iso 0 dist 8.47617 17.2393 9.74445 15.1595 8.80331 10.323 15.4702 9.69698 8.58709 15.7652 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.47617 17.2393 9.74445 15.1595 8.80331 10.323 14.166 5.90113 7.53564 9.17086 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.47617 17.2393 9.74445 8.14351 6.20293 14.445 15.4702 9.69698 8.58709 15.8918 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.47617 17.2393 9.74445 8.14351 6.20293 14.445 14.166 5.90113 7.53564 10.615 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.13476 9.45804 5.59773 13.1047 9.5589 13.9079 4.22514 5.65405 6.10175 14.4402 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.13476 9.45804 5.59773 10.0565 6.83299 10.4238 4.22514 5.65405 6.10175 10.5929 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 6.13476 9.45804 5.59773 5.77448 8.10861 10.1356 4.22514 5.65405 6.10175 6.54183 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 8.46609 4.46881 5.83937 4.72836 6.65595 6.62193 8.44257 6.96065 4.96897 9.92844 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 8.46609 4.46881 5.83937 9.1013 9.25011 10.9885 8.44257 6.96065 4.96897 14.2472 numMergedOcc 0
9 mol 60 unq 2 iso 0 dist 8.46609 4.46881 5.83937 12.4802 6.43294 9.96073 8.44257 6.96065 4.96897 12.177 numMergedOcc 0
10 mol 60 unq 3 iso 0 dist 8.46609 4.46881 5.83937 11.7276 8.52121 11.2445 8.44257 6.96065 4.96897 14.7815 numMergedOcc 0
11 mol 122 unq 0 iso 0 dist 8.054 5.27855 8.33083 9.57532 8.37808 12.4383 14.342 11.9943 9.44209 18.0518 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 7.94863 4.59384 7.83619 7.58865 9.28393 10.0837 12.0385 10.9365 8.26291 13.2314 numMergedOcc 0
13 mol 130 unq 1 iso 0 dist 7.94863 4.59384 7.83619 7.58865 9.28393 10.0837 7.71664 5.63567 7.86001 12.6804 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.0847 17.3026 9.10619 14.8573 8.56324 9.66339 16.6493 9.50073 8.84852 15.3848 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 9.0847 17.3026 9.10619 8.41711 6.70283 13.9994 16.6493 9.50073 8.84852 16.0753 numMergedOcc 0
16 mol 152 unq 2 iso 0 dist 9.0847 17.3026 9.10619 4.82496 7.16148 14.2552 16.6493 9.50073 8.84852 16.0158 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 9.61379 13.0098 6.56437 9.57016 8.95269 14.2632 14.5184 5.25583 4.99301 13.0296 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 9.61379 12.6599 6.23882 9.57016 8.95269 15.0038 14.5184 5.25583 6.36813 13.0296 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 9.61379 4.72179 9.34636 9.57016 8.95269 5.63485 11.9775 11.8217 7.7163 7.07564 numMergedOcc 0
20 mol 224 unq 3 iso 0 dist 9.61379 4.72179 9.34636 9.57016 8.95269 5.63485 11.6333 11.9904 9.06201 10.9817 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 8.39522 11.1968 9.75174 4.88998 6.57393 13.477 12.547 6.53984 6.32593 12.6391 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 5.29682 4.98212 6.77279 5.48552 8.53687 7.55268 13.6688 12.4673 9.16791 14.3065 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 5.29682 4.98212 6.77279 5.56656 8.13497 5.71237 13.6688 12.4673 9.16791 13.8844 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 6.20344 4.98212 9.58006 5.56656 7.88519 5.71237 13.6688 16.6792 9.16791 13.8844 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 6.20344 4.98212 9.58006 6.08432 7.84554 9.10984 13.6688 16.6792 9.16791 18.1068 numMergedOcc 0
26 mol 259 unq 4 iso 0 dist 6.20344 4.98212 9.58006 10.3156 7.46176 11.8501 13.6688 16.6792 9.16791 18.6945 numMergedOcc 0
27 mol 259 unq 5 iso 0 dist 6.20344 4.98212 9.58006 9.55719 9.18903 13.9868 13.6688 16.6792 9.16791 22.9986 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 9.64889 6.7593 6.90434 15.4648 9.7748 13.2927 11.8359 16.2915 9.42812 20.3589 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 7.63115 7.675 8.13489 5.82892 9.70696 5.51096 11.6621 5.31331 8.66917 12.6214 numMergedOcc 0
