0 mol 56 unq 0 iso 0 dist 9.71282 4.27997 9.49909 8.78393 4.98324 8.0757 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 9.71282 11.9782 8.37022 8.78393 4.98324 9.8958 numMergedOcc 0
2 mol 56 unq 2 iso 0 dist 9.95507 6.41952 9.49909 8.99619 4.98324 8.0757 numMergedOcc 0
3 mol 56 unq 3 iso 0 dist 9.95507 4.83605 8.37022 8.99619 4.98324 9.8958 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.01128 11.3093 6.2491 13.5332 12.7928 7.88143 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 8.01128 11.3093 6.2491 7.40481 7.89992 6.62952 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 8.01128 6.41542 3.59451 7.40481 7.89992 4.3521 numMergedOcc 0
7 mol 101 unq 0 iso 0 dist 5.58941 5.23253 5.51185 8.70947 4.84084 7.11476 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.73488 4.42019 9.40544 9.0655 10.2375 8.8894 numMergedOcc 0
9 mol 125 unq 0 iso 0 dist 8.3447 10.8824 8.15971 10.9478 5.16445 8.44933 numMergedOcc 0
10 mol 125 unq 1 iso 0 dist 8.3447 10.8824 8.15971 12.9714 5.32986 7.43803 numMergedOcc 0
11 mol 170 unq 0 iso 0 dist 7.70662 5.2781 5.94075 5.13315 7.9212 9.15159 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 9.99021 13.9919 8.86377 22.7481 14.9732 9.68557 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 8.26428 3.72291 8.86377 13.4022 14.9732 9.68557 numMergedOcc 0
14 mol 209 unq 0 iso 0 dist 8.93728 8.63899 7.757 13.5797 5.86856 8.20431 numMergedOcc 0
15 mol 209 unq 1 iso 0 dist 8.93728 8.63899 7.757 13.0221 8.13817 8.8886 numMergedOcc 0
16 mol 209 unq 2 iso 0 dist 8.93728 6.61665 9.56015 13.0221 8.13817 8.78565 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 7.19903 4.828 8.78008 8.87704 8.20191 7.80073 numMergedOcc 0
18 mol 239 unq 1 iso 0 dist 9.61732 6.01923 8.33254 14.8772 11.8831 8.92121 numMergedOcc 0
19 mol 239 unq 2 iso 0 dist 9.64616 15.8347 8.01565 11.0376 5.94643 7.10828 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 8.36198 5.34824 6.04688 10.4634 4.88298 5.70674 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 7.246 6.0591 9.05149 8.67835 11.3568 8.13605 numMergedOcc 0
22 mol 267 unq 0 iso 0 dist 8.07801 5.05875 5.32643 7.71379 9.17078 6.79491 numMergedOcc 0
23 mol 267 unq 1 iso 0 dist 6.01222 5.58689 5.32643 12.2683 9.17078 6.79491 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 7.61141 9.08203 6.15136 13.5473 6.84734 6.53354 numMergedOcc 0
25 mol 283 unq 1 iso 0 dist 7.61141 9.08203 6.15136 9.3566 4.67572 6.93798 numMergedOcc 0
