0 mol 10 unq 0 iso 0 dist 9.09758 7.18129 8.44864 3.97711 9.43029 4.87706 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 9.1301 5.07557 9.25493 5.5496 9.90835 3.92728 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.01238 10.3572 9.44507 5.43726 6.7142 8.43529 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 9.3341 4.19247 6.66861 9.27285 8.70598 6.89662 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 9.3341 6.83997 6.72084 9.27285 8.70598 3.74852 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 7.42828 4.23238 5.51406 8.88262 8.77355 6.44712 numMergedOcc 0
6 mol 91 unq 1 iso 0 dist 5.98441 6.31416 5.51406 11.1951 8.77355 6.44712 numMergedOcc 0
7 mol 91 unq 2 iso 0 dist 5.45873 4.23182 5.51406 10.5022 8.77355 6.44712 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 8.62881 4.01477 5.59552 9.82571 6.59716 5.92795 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 8.62881 4.01477 5.59552 14.1914 6.87506 10.2656 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 6.58492 10.7482 7.4518 8.09258 7.28831 3.91263 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 7.63783 14.6717 7.4518 13.069 7.28831 3.91263 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 5.93497 4.32161 8.23777 4.03471 5.36587 3.82552 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 9.17878 18.003 9.66068 13.5478 9.30645 8.60362 numMergedOcc 0
14 mol 244 unq 0 iso 0 dist 9.28249 15.1414 8.08939 14.4096 6.53416 10.7011 numMergedOcc 0
15 mol 244 unq 1 iso 0 dist 9.28249 13.9103 7.33574 14.4096 6.53416 7.2524 numMergedOcc 0
16 mol 256 unq 0 iso 0 dist 5.2801 10.5631 5.66817 7.84178 6.85663 8.00048 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 8.75324 9.65309 5.68717 3.92288 6.75725 9.0549 numMergedOcc 0
18 mol 260 unq 1 iso 0 dist 8.75324 9.65309 5.68717 14.1341 9.31888 6.73886 numMergedOcc 0
19 mol 267 unq 0 iso 0 dist 6.55433 4.13132 9.80577 6.43871 6.27154 8.3484 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 9.62872 7.42864 9.21145 15.8802 7.67837 11.7249 numMergedOcc 0
