0 mol 18 unq 0 iso 0 dist 5.32149 8.1366 10.8911 4.86477 9.1397 10.7398 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 5.36895 9.78508 6.68779 6.85618 9.17982 15.2514 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 5.36895 9.78508 6.68779 8.25624 9.62869 15.4106 numMergedOcc 0
3 mol 41 unq 2 iso 0 dist 5.36895 9.78508 6.68779 5.36021 6.40219 11.3739 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.90024 9.92963 18.4575 16.9091 9.02471 26.1193 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.90024 8.07389 6.09486 16.9091 9.02471 10.4804 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.96446 7.69672 12.6706 12.0126 5.42067 15.8703 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 6.70686 7.69672 8.52106 12.0126 7.36435 15.8703 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 6.34542 9.76075 6.3561 11.2375 9.06601 13.9368 numMergedOcc 0
9 mol 111 unq 1 iso 0 dist 6.34542 9.76075 6.3561 6.87591 5.98809 7.24101 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 5.06555 6.21509 4.98499 8.14689 6.42623 9.43682 numMergedOcc 0
11 mol 120 unq 1 iso 0 dist 5.06555 6.21509 4.98499 5.74365 8.95899 8.0564 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 6.44195 5.7306 4.66975 5.71332 8.89394 10.5803 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 6.53913 7.71402 6.38496 5.60897 5.36671 9.87581 numMergedOcc 0
14 mol 167 unq 1 iso 0 dist 6.53913 4.74768 8.09332 5.60897 5.36671 7.33178 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 6.28961 6.58855 4.19562 12.9917 9.37946 13.5154 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 6.28961 6.58855 4.19562 12.2955 9.13646 12.1835 numMergedOcc 0
17 mol 169 unq 2 iso 0 dist 6.28961 6.58855 4.19562 11.6543 8.34216 9.66151 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 6.0639 9.02321 5.04574 4.59453 9.65093 10.6483 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 5.82039 9.1579 6.13816 12.4707 9.4629 7.51798 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 7.91348 6.38041 5.8401 5.45887 8.55044 8.63893 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 6.95233 9.85095 5.60582 4.5731 9.29666 9.59177 numMergedOcc 0
22 mol 266 unq 1 iso 0 dist 6.95233 8.25191 10.3169 4.5731 9.29666 11.321 numMergedOcc 0
23 mol 266 unq 2 iso 0 dist 6.95233 7.35056 9.69688 4.5731 9.29666 11.4804 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 9.82717 6.02774 6.40962 13.5711 6.71946 7.8605 numMergedOcc 0
25 mol 285 unq 1 iso 0 dist 9.82717 6.02774 6.40962 17.9142 8.28061 14.0418 numMergedOcc 0
26 mol 285 unq 2 iso 0 dist 9.82717 6.02774 6.40962 13.8352 5.03601 10.4548 numMergedOcc 0
