0 mol 41 unq 0 iso 0 dist 8.6783 6.74265 10.8697 8.67915 5.6133 7.46776 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.61209 8.57528 8.03646 9.2397 6.77823 8.45962 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 5.7638 8.24934 8.03646 6.58179 5.44338 6.20434 numMergedOcc 0
3 mol 55 unq 2 iso 0 dist 8.55679 8.24934 13.0255 6.58179 10.6068 6.20434 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.40399 9.22704 12.0124 6.29267 7.3779 6.51961 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 8.40399 9.22704 12.0124 9.64361 6.08409 9.91821 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.66549 6.27877 9.40128 8.15861 13.2781 6.90443 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 9.66549 6.27877 9.40128 9.27814 7.41484 12.641 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 7.62621 8.01351 6.16048 7.09177 8.88997 12.7678 numMergedOcc 0
9 mol 91 unq 1 iso 0 dist 7.62621 8.98201 14.1282 7.09177 8.88997 6.3531 numMergedOcc 0
10 mol 91 unq 2 iso 0 dist 7.62621 6.4026 9.28675 7.09177 8.88997 3.99798 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 9.42444 8.10965 9.03322 9.75833 4.93451 5.28796 numMergedOcc 0
12 mol 103 unq 1 iso 0 dist 9.64736 8.10965 5.86578 9.75833 6.12524 5.28796 numMergedOcc 0
13 mol 104 unq 0 iso 0 dist 7.45407 9.0159 11.1508 9.58427 3.41728 14.4668 numMergedOcc 0
14 mol 104 unq 1 iso 0 dist 7.45407 5.46461 5.87427 9.58427 3.41728 6.09375 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 4.87856 7.39303 10.6021 6.40989 6.93445 5.21343 numMergedOcc 0
16 mol 124 unq 0 iso 0 dist 8.48985 8.40121 9.90566 9.01881 13.2981 9.14816 numMergedOcc 0
17 mol 124 unq 1 iso 0 dist 8.48985 9.09998 5.84105 9.01881 13.2981 14.1773 numMergedOcc 0
18 mol 146 unq 0 iso 0 dist 5.3184 6.70014 11.6962 8.91908 4.74818 14.9893 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 7.38022 5.51354 5.55907 9.08818 6.03974 10.5477 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 7.38022 5.51354 5.55907 8.5163 3.49762 6.71795 numMergedOcc 0
21 mol 233 unq 0 iso 0 dist 6.01193 6.50096 4.69192 6.45095 8.15592 5.02086 numMergedOcc 0
22 mol 233 unq 1 iso 0 dist 9.49046 8.27169 12.4724 8.7499 10.934 12.2453 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 9.8678 9.4961 17.1354 9.2684 9.75276 15.5294 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 9.8678 8.08479 17.2672 9.2684 9.75276 12.1427 numMergedOcc 0
25 mol 266 unq 2 iso 0 dist 8.00278 9.4961 14.487 9.2684 12.1799 15.5294 numMergedOcc 0
26 mol 266 unq 3 iso 0 dist 8.00278 8.08479 15.9267 9.2684 12.1799 12.1427 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 8.28068 9.16563 6.27944 7.17276 6.35533 5.01922 numMergedOcc 0
