0 mol 26 unq 0 iso 0 dist 8.62527 9.7522 4.52042 11.7823 10.7269 6.73162 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 8.34361 5.97635 5.65405 8.98505 8.41365 5.02241 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 7.49861 8.99491 11.6779 6.84612 10.4215 8.68586 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 6.2165 8.99491 10.1207 6.84612 11.8445 8.68586 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.87592 4.98864 5.19652 5.46352 8.77794 6.99777 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 5.87592 4.98864 5.19652 10.1017 13.7249 9.14376 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 8.37388 7.95871 5.19652 10.3995 8.77794 6.99777 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 8.37388 7.95871 5.19652 9.81323 13.7249 9.14376 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 7.46875 7.81337 5.29825 6.25099 10.1792 6.91348 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 7.46875 7.81337 5.29825 14.8295 13.4104 9.51418 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 7.49276 4.44292 4.97552 4.40049 11.1517 7.39644 numMergedOcc 0
11 mol 155 unq 1 iso 0 dist 7.49276 4.44292 4.97552 6.61119 10.5471 7.70572 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.14877 9.84952 7.07865 11.14 13.3613 7.98142 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 9.14877 9.84952 7.07865 10.9006 9.7281 7.37327 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 8.18021 9.84952 13.9526 11.14 18.0564 7.98142 numMergedOcc 0
15 mol 181 unq 3 iso 0 dist 8.18021 9.84952 13.9526 10.9006 15.2712 7.37327 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 7.71569 5.36829 5.68711 8.69149 12.4978 6.97182 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 7.71569 5.36829 5.68711 6.00706 11.0481 6.1175 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 8.21479 7.70279 8.14537 6.17401 8.94854 7.07392 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 8.52954 7.08539 12.2063 4.28284 10.0749 9.58736 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.18345 6.24928 5.33697 6.66018 12.075 6.91569 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 7.32196 9.32451 6.13639 4.81145 6.19514 6.05141 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 8.11437 7.15815 7.07333 8.75798 6.52138 7.19465 numMergedOcc 0
23 mol 257 unq 0 iso 0 dist 9.27027 7.82899 6.64096 7.37187 7.48361 7.14834 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.03983 6.42725 7.27401 7.53102 10.4321 6.77938 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 9.03983 6.42725 7.27401 6.58569 13.6233 7.76676 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 9.04647 9.65265 5.56999 6.93865 9.89613 6.50589 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 9.18581 5.75596 5.52597 6.58789 14.561 9.454 numMergedOcc 0
