0 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 4.46394 5.96346 6.86684 9.76946 4.73237 6.89666 10.6838 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.36377 5.48395 6.31718 5.96976 6.93532 10.4366 10.406 4.2139 9.76968 9.68387 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.40051 14.4191 7.17969 4.32173 6.16347 10.8498 13.0464 5.59268 8.88413 11.6272 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.40051 14.4191 7.17969 15.9662 7.92503 5.30154 13.0464 5.59268 8.88413 7.05148 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.88413 5.59268 7.17969 10.7087 7.55264 6.08585 13.0464 14.4191 8.40051 8.78181 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 6.31125 5.59449 6.85062 11.127 9.90168 13.7237 12.2899 11.4498 7.81337 15.1282 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 7.81337 11.4498 6.85062 4.34786 8.70296 14.2045 12.2899 5.59449 6.31125 13.6954 numMergedOcc 0
7 mol 131 unq 2 iso 0 dist 7.81337 11.4498 6.85062 11.6607 9.25558 5.09131 12.2899 5.59449 6.31125 10.9811 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.50322 5.37072 7.11802 16.7326 9.22232 16.0138 7.12336 6.26797 5.86531 14.2733 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.50322 5.37072 7.11802 10.2948 9.22661 5.92062 7.12336 6.26797 5.86531 6.42904 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 9.50322 5.37072 7.11802 11.6924 7.56378 6.61891 7.12336 6.26797 5.86531 10.0298 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 9.55777 16.4881 7.21333 12.979 7.67576 7.75656 10.9808 4.82768 7.85877 5.89818 numMergedOcc 0
12 mol 222 unq 1 iso 0 dist 9.55777 16.4881 7.21333 4.05539 9.82371 16.0949 10.9808 4.82768 7.85877 9.32543 numMergedOcc 0
13 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 3.93066 9.55668 7.60081 8.92054 5.23741 8.48065 10.8785 numMergedOcc 0
14 mol 235 unq 1 iso 0 dist 7.08539 7.38431 5.4638 13.0408 9.55668 7.60081 12.1257 5.23741 8.48065 10.8785 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 9.10633 7.20238 7.4631 4.85571 7.89524 4.45049 9.40808 6.72492 8.40773 10.5164 numMergedOcc 0
16 mol 241 unq 1 iso 0 dist 9.10633 7.20238 7.4631 4.85571 7.89524 4.45049 15.6286 9.87799 9.18476 12.949 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 8.06771 6.64729 8.13497 5.61261 7.98231 8.41846 9.05363 10.4985 5.90645 13.1095 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 8.43858 8.55312 6.24356 4.29482 7.16853 5.00209 11.229 3.93713 8.19504 9.3201 numMergedOcc 0
19 mol 264 unq 1 iso 0 dist 8.19504 3.93713 6.24356 7.28197 5.93616 7.52936 11.229 8.55312 8.43858 13.7665 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 9.20416 5.26243 8.2734 11.6878 7.07965 10.8848 12.7106 8.04474 9.30668 13.7647 numMergedOcc 0
21 mol 292 unq 1 iso 0 dist 7.53641 5.58251 8.2734 8.46139 7.07965 10.8848 8.35169 8.04474 9.30668 13.7647 numMergedOcc 0
