0 mol 30 unq 0 iso 0 dist 5.9581 7.15015 5.81806 4.1735 9.77521 10.9555 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 5.9581 3.68549 5.39896 4.1735 9.77521 7.47342 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.57204 6.84521 13.8309 7.25365 7.72069 10.6262 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.57204 8.90024 17.7655 7.25365 7.72069 13.6848 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 9.57204 6.78532 14.5683 7.25365 7.72069 13.4803 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 5.88647 5.48831 5.46166 5.50284 8.71615 6.7212 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 5.88647 9.39178 5.58151 5.50284 8.71615 9.08821 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 8.86576 9.25901 7.74462 13.8239 8.6308 16.325 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 8.86576 7.96299 11.6072 13.8239 8.6308 17.4349 numMergedOcc 0
9 mol 94 unq 0 iso 0 dist 8.32077 6.31237 10.4772 8.48635 9.50465 13.1412 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 8.63253 8.84131 6.42572 5.89461 9.61113 12.1389 numMergedOcc 0
11 mol 102 unq 1 iso 0 dist 8.63253 8.84131 6.42572 8.38008 7.73836 9.84673 numMergedOcc 0
12 mol 102 unq 2 iso 0 dist 5.15752 8.84131 5.54551 5.89461 7.59973 12.1389 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 8.0631 6.37528 5.56084 9.13942 8.16113 11.9574 numMergedOcc 0
14 mol 124 unq 0 iso 0 dist 8.25764 6.71293 5.31501 5.87352 5.61764 6.35314 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 8.81385 7.88846 4.28891 7.13239 7.10689 8.5834 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 8.55126 8.53615 9.75601 5.55716 8.86628 12.1289 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 8.75137 7.79723 6.6173 8.24395 5.66519 10.291 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 8.75137 8.14526 8.95486 8.24395 5.66519 12.7977 numMergedOcc 0
19 mol 249 unq 2 iso 0 dist 7.82699 7.79723 5.25611 8.24395 6.50067 10.291 numMergedOcc 0
20 mol 249 unq 3 iso 0 dist 7.82699 8.14526 9.66184 8.24395 6.50067 12.7977 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 7.64708 9.38793 10.9419 5.57184 8.83777 14.0486 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 5.73065 9.38793 12.4605 5.57184 9.42812 14.0486 numMergedOcc 0
23 mol 285 unq 0 iso 0 dist 8.5942 8.33653 8.39941 10.2687 8.33415 11.8098 numMergedOcc 0
