0 mol 11 unq 0 iso 0 dist 5.7435 5.42831 6.97875 7.53641 6.79478 11.2336 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.13983 5.06934 8.91266 5.2767 8.73627 7.67076 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 6.45858 6.35274 8.91266 8.1206 8.73627 7.67076 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.10899 11.042 6.85305 13.0514 6.87871 6.71226 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.15985 9.87475 5.81552 8.86411 6.85381 5.16543 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 9.42513 4.42983 7.73139 14.6411 8.40046 14.0161 numMergedOcc 0
6 mol 127 unq 1 iso 0 dist 9.42513 9.88569 6.66607 14.6411 8.40046 6.39358 numMergedOcc 0
7 mol 127 unq 2 iso 0 dist 9.42513 5.88232 8.62711 14.6411 8.40046 15.8417 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 9.97921 12.2516 9.89142 8.10527 9.82249 9.75316 numMergedOcc 0
9 mol 206 unq 0 iso 0 dist 9.78438 5.59897 7.0119 10.2556 8.31638 4.85877 numMergedOcc 0
10 mol 206 unq 1 iso 0 dist 9.78438 5.59897 7.0119 4.58247 9.72979 8.77652 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 9.51764 18.2005 9.40003 15.3761 8.49704 10.6403 numMergedOcc 0
12 mol 214 unq 1 iso 0 dist 9.51764 4.74203 8.68385 15.3761 8.49704 15.7236 numMergedOcc 0
13 mol 214 unq 2 iso 0 dist 5.36829 4.87713 9.40003 8.72971 8.49704 10.6403 numMergedOcc 0
14 mol 214 unq 3 iso 0 dist 5.36829 13.4762 8.68385 8.72971 8.49704 15.7236 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 9.05929 6.0905 6.73134 6.83211 8.77254 10.1358 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 5.89502 7.60327 8.53729 4.10634 7.7993 5.07076 numMergedOcc 0
17 mol 253 unq 1 iso 0 dist 5.89502 7.60327 8.53729 4.97753 6.10761 11.9553 numMergedOcc 0
18 mol 253 unq 2 iso 0 dist 5.89502 9.90493 8.07341 4.10634 7.7993 7.67871 numMergedOcc 0
19 mol 253 unq 3 iso 0 dist 5.89502 9.90493 8.07341 4.97753 6.10761 12.5746 numMergedOcc 0
20 mol 253 unq 4 iso 0 dist 7.15815 13.127 8.53729 11.0688 7.7993 5.07076 numMergedOcc 0
21 mol 253 unq 5 iso 0 dist 7.15815 13.127 8.53729 5.23198 6.10761 11.9553 numMergedOcc 0
22 mol 253 unq 6 iso 0 dist 7.15815 14.7487 8.07341 11.0688 7.7993 7.67871 numMergedOcc 0
23 mol 253 unq 7 iso 0 dist 7.15815 14.7487 8.07341 5.23198 6.10761 12.5746 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 9.96394 12.1122 4.78812 5.76243 6.94346 8.20642 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 7.74162 6.05412 5.17586 11.6227 8.13489 5.72978 numMergedOcc 0
