0 mol 43 unq 0 iso 0 dist 9.23033 6.6796 6.6263 9.14324 9.05723 9.89546 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.23033 10.2523 6.75943 18.5651 11.2174 9.07906 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 6.37273 8.66168 9.8703 9.23087 5.69088 9.18809 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.91605 6.71593 5.5087 6.00779 8.97954 5.62694 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.43707 6.71593 6.08682 6.00779 5.33414 5.62694 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 8.68698 10.5385 6.53308 12.3394 4.47717 6.64584 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 9.63281 3.97609 8.28795 8.07119 4.13685 8.10448 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 9.17001 11.1351 7.79505 19.638 12.7979 9.50837 numMergedOcc 0
8 mol 127 unq 1 iso 0 dist 9.17001 11.1351 7.79505 7.33646 5.83338 8.17522 numMergedOcc 0
9 mol 127 unq 2 iso 0 dist 9.17001 6.08871 7.36199 7.33646 5.83338 8.14341 numMergedOcc 0
10 mol 170 unq 0 iso 0 dist 8.95292 8.83341 9.08274 13.3979 9.2385 6.01758 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 6.95432 12.2822 7.06025 10.7023 7.86021 8.4173 numMergedOcc 0
12 mol 219 unq 0 iso 0 dist 8.38773 10.0509 4.33238 6.65093 6.08582 7.68645 numMergedOcc 0
13 mol 219 unq 1 iso 0 dist 8.38773 5.48556 7.83604 6.65093 6.08582 5.75017 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 8.83742 10.9485 8.08349 14.9424 9.06907 7.80754 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 8.83742 10.9485 8.08349 17.8586 13.4882 8.20295 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 4.54745 5.26867 7.15764 10.1823 9.49612 7.48298 numMergedOcc 0
17 mol 252 unq 1 iso 0 dist 4.54745 5.26867 7.15764 12.3184 10.6529 8.9483 numMergedOcc 0
