0 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 9.57964 6.00575 6.60423 12.0407 11.573 7.05502 7.83786 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.80897 12.8257 8.34347 15.3756 10.6756 5.69955 19.8663 17.7357 9.78225 8.6385 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.37225 8.70636 8.34347 13.1344 10.6756 5.69955 16.4762 17.7357 9.78225 8.6385 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.03754 14.0204 8.80331 16.8389 9.06158 9.93832 13.1056 6.20293 8.13395 8.60739 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 16.8389 9.06158 8.60739 14.0204 8.80331 8.13395 9.93832 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 9.47348 9.92508 8.93915 16.976 11.3891 8.60739 17.4032 14.7803 8.13395 9.93832 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 9.74802 5.43139 9.65964 9.76877 9.03317 6.54023 9.37982 10.1773 5.22626 9.31969 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 12.238 8.26458 7.04044 9.59988 6.19304 5.4148 8.73253 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.23812 9.59988 6.19304 12.238 8.26458 8.73253 12.8453 9.96396 5.4148 7.04044 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 7.23812 7.80518 8.70481 15.5713 14.8866 8.85586 14.3327 16.0098 8.07446 5.16364 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.67557 6.53819 7.95579 9.27584 5.08358 8.00777 9.9705 6.19965 4.26409 7.1589 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 9.67557 9.9705 6.19965 9.27584 5.08358 7.1589 6.53819 7.95579 4.26409 8.00777 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 9.90769 13.4578 9.60462 20.7339 17.3924 9.92283 18.257 13.9874 5.0812 6.43433 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 9.90769 13.4578 9.60462 10.9045 3.98564 7.23962 9.33903 11.192 7.03147 9.00067 numMergedOcc 0
14 mol 112 unq 2 iso 0 dist 9.90769 13.4578 9.60462 10.9045 3.98564 7.23962 5.45755 10.9806 11.4954 9.89499 numMergedOcc 0
15 mol 112 unq 3 iso 0 dist 9.90769 13.4578 9.60462 10.9045 3.98564 7.23962 6.69178 7.45389 7.05226 7.30204 numMergedOcc 0
16 mol 112 unq 4 iso 0 dist 9.90769 6.69178 7.45389 10.9045 3.98564 7.30204 13.4578 9.60462 7.05226 7.23962 numMergedOcc 0
17 mol 112 unq 5 iso 0 dist 9.90769 6.69178 7.45389 10.9045 3.98564 7.30204 9.33903 11.192 5.56241 9.00067 numMergedOcc 0
18 mol 112 unq 6 iso 0 dist 9.90769 6.69178 7.45389 10.9045 3.98564 7.30204 5.45755 10.9806 6.77737 9.89499 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 8.41774 13.1435 8.56324 17.4405 9.35627 9.77552 13.793 6.70283 7.65448 8.28642 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 8.41774 13.793 6.70283 17.4405 9.35627 8.28642 13.1435 8.56324 7.65448 9.77552 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 8.52924 7.17157 6.03031 13.2681 5.28092 8.44861 11.993 7.26832 7.38516 5.60393 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 8.52924 11.993 7.26832 13.2681 5.28092 5.60393 7.17157 6.03031 7.38516 8.44861 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 6.77368 8.47937 6.00706 10.9165 6.42798 7.862 12.1825 12.6531 10.5806 9.2581 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 6.77368 8.47937 6.00706 10.9165 6.42798 7.862 14.4913 11.8674 6.9154 9.62632 numMergedOcc 0
25 mol 222 unq 2 iso 0 dist 7.73634 4.81992 6.00706 5.98014 6.42798 7.862 10.6512 12.6531 10.5806 9.2581 numMergedOcc 0
26 mol 222 unq 3 iso 0 dist 7.73634 4.81992 6.00706 5.98014 6.42798 7.862 5.03763 11.8674 6.9154 9.62632 numMergedOcc 0
27 mol 229 unq 0 iso 0 dist 8.83023 9.15968 7.03423 16.592 9.62106 8.92743 14.8776 12.3823 6.94172 8.08082 numMergedOcc 0
28 mol 229 unq 1 iso 0 dist 8.83023 9.15968 7.03423 16.592 9.62106 8.92743 16.1609 11.4362 7.0298 5.77318 numMergedOcc 0
29 mol 229 unq 2 iso 0 dist 8.83023 9.15968 7.03423 16.592 9.62106 8.92743 24.0689 17.78 15.7694 8.19603 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 4.80834 7.04671 5.72887 12.3408 12.3808 7.32982 15.3346 13.5431 10.0191 6.66971 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 4.80834 7.04671 5.72887 12.3408 12.3808 7.32982 13.1885 12.8711 10.1648 6.4398 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 8.23381 7.48984 6.97229 15.4657 11.6066 8.15467 9.56445 10.9661 4.26007 9.1925 numMergedOcc 0
33 mol 258 unq 1 iso 0 dist 9.04358 8.81588 6.60405 12.869 7.42673 6.70815 5.90131 6.42289 7.26417 7.99477 numMergedOcc 0
34 mol 258 unq 2 iso 0 dist 9.04358 5.90131 6.42289 12.869 7.42673 7.99477 8.81588 6.60405 7.26417 6.70815 numMergedOcc 0
35 mol 258 unq 3 iso 0 dist 9.04358 5.90131 6.42289 12.8643 6.44209 7.86627 9.68064 10.1675 5.30627 7.93574 numMergedOcc 0
