0 mol 15 unq 0 iso 0 dist 4.89563 7.57076 4.46295 4.98085 5.89412 9.70019 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.16274 6.19695 4.22652 5.00898 6.42748 6.31608 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.50987 8.69224 9.92243 4.95472 6.85556 11.386 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.58693 5.61418 9.53244 10.8137 5.78706 7.54574 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 9.48388 5.61418 11.115 7.65932 5.65185 11.5938 numMergedOcc 0
5 mol 101 unq 0 iso 0 dist 7.42893 9.26699 7.89838 9.31844 6.98314 13.154 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 6.97244 5.56913 4.46691 6.85703 7.70232 6.5788 numMergedOcc 0
7 mol 117 unq 1 iso 0 dist 6.97244 5.56913 4.46691 9.39186 7.4671 6.2771 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 9.06272 5.5917 10.3933 6.48813 6.28565 8.98175 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 9.06272 5.5917 10.3933 6.93006 7.58957 11.6264 numMergedOcc 0
10 mol 129 unq 2 iso 0 dist 9.06272 5.24806 9.27274 6.48813 6.28565 9.41849 numMergedOcc 0
11 mol 129 unq 3 iso 0 dist 9.06272 5.24806 9.27274 6.93006 7.58957 9.93115 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 6.44766 9.77654 3.84862 12.0238 8.70296 9.28389 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 6.44766 9.77654 3.84862 6.81696 9.25558 12.9556 numMergedOcc 0
14 mol 135 unq 0 iso 0 dist 9.13451 5.60595 10.9403 4.14325 5.62052 7.02963 numMergedOcc 0
15 mol 135 unq 1 iso 0 dist 9.13451 5.60595 10.9403 5.67656 7.90563 10.0795 numMergedOcc 0
16 mol 135 unq 2 iso 0 dist 9.171 5.60595 8.06169 4.14325 7.85645 7.02963 numMergedOcc 0
17 mol 135 unq 3 iso 0 dist 9.171 5.60595 8.06169 5.67656 8.97655 10.0795 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 9.03233 5.24882 10.9086 10.7405 6.6554 14.803 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 8.68992 8.00826 7.36886 9.13275 7.36698 13.0135 numMergedOcc 0
20 mol 182 unq 0 iso 0 dist 6.32172 6.78641 6.45169 5.00423 6.73956 10.538 numMergedOcc 0
21 mol 182 unq 1 iso 0 dist 6.32172 6.78641 6.45169 5.41536 7.09394 9.98182 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 5.47189 8.94445 6.92078 6.49544 8.73217 11.6399 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 9.14351 5.3865 10.3504 5.56847 5.48118 8.76518 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 6.87804 7.61675 9.12345 13.9059 7.07965 13.9238 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 6.07571 4.97488 7.22011 4.59906 7.07965 5.91617 numMergedOcc 0
