0 mol 34 unq 0 iso 0 dist 9.10681 6.50431 6.44329 6.10527 4.50643 5.3504 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.10681 12.2296 8.94846 6.10527 4.50643 11.7002 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 7.47638 11.3645 7.80332 4.87451 6.84257 8.72643 numMergedOcc 0
3 mol 37 unq 1 iso 0 dist 7.47638 11.3645 7.80332 12.8406 9.21102 5.2969 numMergedOcc 0
4 mol 37 unq 2 iso 0 dist 7.47638 14.8983 8.02122 4.87451 6.84257 12.269 numMergedOcc 0
5 mol 37 unq 3 iso 0 dist 7.47638 14.8983 8.02122 12.8406 9.21102 8.62672 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 4.22514 7.18196 4.54428 4.11549 6.29755 6.36332 numMergedOcc 0
7 mol 54 unq 1 iso 0 dist 4.22514 7.18196 4.54428 8.12687 7.4038 4.66088 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 9.0081 13.4867 9.65026 7.96488 7.77128 13.7899 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 8.52142 14.7982 9.90823 4.3044 5.48997 11.1617 numMergedOcc 0
10 mol 68 unq 1 iso 0 dist 8.52142 4.76392 6.20207 4.3044 5.48997 4.6505 numMergedOcc 0
11 mol 81 unq 0 iso 0 dist 7.31138 6.61128 8.94166 4.37412 9.24998 6.37204 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 9.0584 12.7037 7.80347 12.958 4.3521 10.386 numMergedOcc 0
13 mol 99 unq 0 iso 0 dist 8.4731 11.1158 8.82497 6.39308 6.02154 5.25531 numMergedOcc 0
14 mol 99 unq 1 iso 0 dist 8.4731 11.1158 8.82497 6.04335 8.07233 13.3993 numMergedOcc 0
15 mol 172 unq 0 iso 0 dist 9.40213 14.3434 8.4615 11.0444 5.28889 7.00723 numMergedOcc 0
16 mol 172 unq 1 iso 0 dist 9.40213 14.3434 8.4615 9.70426 4.90175 11.5134 numMergedOcc 0
17 mol 172 unq 2 iso 0 dist 8.75042 13.6715 8.4615 7.0455 5.28889 7.00723 numMergedOcc 0
18 mol 172 unq 3 iso 0 dist 8.75042 13.6715 8.4615 12.33 4.90175 11.5134 numMergedOcc 0
19 mol 212 unq 0 iso 0 dist 9.25573 4.7682 9.63493 4.25603 7.98724 4.72503 numMergedOcc 0
20 mol 241 unq 0 iso 0 dist 4.66398 10.4659 9.86427 10.4606 8.00841 5.4733 numMergedOcc 0
21 mol 241 unq 1 iso 0 dist 9.05448 10.6764 9.86427 5.2107 8.00841 5.4733 numMergedOcc 0
