0 mol 11 unq 0 iso 0 dist 6.20956 5.51815 6.89666 5.59847 6.74026 6.54358 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 8.19347 5.73028 5.73067 11.1233 5.96514 7.26639 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 6.48746 7.70414 8.99491 10.7474 9.07673 9.86334 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 9.34288 5.36659 5.47319 7.40698 4.69809 5.99857 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 9.34288 5.6966 9.8809 7.40698 4.69809 6.9362 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 7.98824 10.5571 9.71952 9.28726 6.69911 8.13108 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 9.42329 10.5571 7.28257 9.28726 3.94216 8.13108 numMergedOcc 0
7 mol 86 unq 0 iso 0 dist 6.17345 7.09012 8.88225 10.5844 6.62266 7.90423 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 6.82522 14.1188 9.65047 10.3611 8.55456 9.3948 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 6.82522 14.1188 9.65047 9.96649 3.84879 9.74607 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 9.89353 9.70895 9.65047 16.0926 8.55456 9.3948 numMergedOcc 0
11 mol 95 unq 3 iso 0 dist 9.89353 9.70895 9.65047 11.392 3.84879 9.74607 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.49649 11.9678 9.60369 8.8437 4.63732 9.66543 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 8.49649 13.0109 9.55556 8.8437 4.63732 7.21868 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.99093 15.3902 9.58911 20.812 17.3349 8.59874 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 6.22466 8.63909 8.96988 8.9388 3.6848 8.90571 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 8.51112 4.98231 7.63036 8.08491 3.58901 7.41662 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 4.17978 4.8419 7.16386 7.71199 4.94998 8.2123 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 4.38586 6.81165 8.6537 5.96615 3.72432 7.27993 numMergedOcc 0
19 mol 229 unq 1 iso 0 dist 4.38586 5.33253 8.75374 5.96615 3.72432 9.51168 numMergedOcc 0
20 mol 229 unq 2 iso 0 dist 4.38586 6.21905 5.57702 5.96615 3.72432 6.95201 numMergedOcc 0
21 mol 229 unq 3 iso 0 dist 9.40399 13.4159 8.6537 12.5048 3.72432 7.27993 numMergedOcc 0
22 mol 229 unq 4 iso 0 dist 9.40399 10.5998 8.75374 12.5048 3.72432 9.51168 numMergedOcc 0
23 mol 229 unq 5 iso 0 dist 9.40399 6.91804 5.57702 12.5048 3.72432 6.95201 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 7.5977 10.056 7.82899 18.8492 14.9352 8.83833 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 7.24072 4.36479 9.6898 14.1815 18.4042 9.9182 numMergedOcc 0
26 mol 292 unq 1 iso 0 dist 7.24072 4.36479 9.6898 12.3919 14.5738 8.9221 numMergedOcc 0
27 mol 292 unq 2 iso 0 dist 7.60019 5.0721 7.53641 7.48212 10.0594 7.20674 numMergedOcc 0
28 mol 292 unq 3 iso 0 dist 7.60019 5.0721 7.53641 11.097 15.5666 8.38121 numMergedOcc 0
