0 mol 6 unq 0 iso 0 dist 9.12748 6.96917 6.8041 3.9416 9.5447 7.33688 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.01238 10.1501 8.98417 5.43726 6.7142 6.61393 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.09443 5.06071 9.5669 3.9572 5.9635 4.63148 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.58319 5.28841 6.8073 9.70093 6.03404 7.55257 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 8.31952 4.99432 6.42242 9.69031 6.07052 7.51675 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 9.3341 10.1436 9.89804 9.27285 8.70598 14.0787 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 7.42828 10.1359 6.93893 8.88262 8.77355 5.09341 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 5.98441 11.3866 6.93893 11.1951 8.77355 5.09341 numMergedOcc 0
8 mol 91 unq 2 iso 0 dist 5.45873 9.36488 6.93893 10.5022 8.77355 5.09341 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 8.29506 6.83777 7.13064 8.09258 9.19977 5.84807 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 7.24843 10.4382 7.13064 13.069 9.19977 5.84807 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 6.58492 6.83777 7.8962 8.09258 7.28831 5.84807 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 7.63783 10.4382 7.8962 13.069 7.28831 5.84807 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 7.57714 8.04699 8.46376 9.9475 7.58337 4.62155 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 7.71806 12.1121 5.4455 8.22995 4.19371 5.39223 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 7.71806 12.1121 5.4455 12.3429 9.71015 7.15294 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.639 14.4545 8.82861 13.3588 9.48625 5.99091 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 9.26512 4.95913 6.91534 3.45727 8.95511 3.28983 numMergedOcc 0
18 mol 244 unq 0 iso 0 dist 9.28249 14.9665 9.97458 14.4096 6.53416 8.65358 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 5.62193 5.26607 9.54381 6.11441 9.63518 9.91008 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 9.62872 11.0702 8.30195 15.8802 7.67837 7.65985 numMergedOcc 0
