0 mol 32 unq 0 iso 0 dist 8.88829 8.70934 7.93694 6.78305 13.8141 9.65897 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 7.20005 9.60499 6.99918 12.858 13.3389 7.58093 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.79714 6.89859 7.18506 9.4173 8.13108 9.40363 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.58693 7.00373 12.0313 4.54306 11.2061 4.44979 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 9.58693 7.00373 12.0313 10.9661 17.0518 6.61111 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 9.48388 7.00373 11.2452 4.54306 7.78931 4.44979 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 9.48388 7.00373 11.2452 10.9661 8.7497 6.61111 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 9.80191 7.77845 8.69934 12.7927 11.6298 5.29949 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 7.31419 8.72056 10.9715 3.64555 8.70621 6.44575 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 7.31419 8.72056 10.9715 4.78701 10.3432 7.43401 numMergedOcc 0
10 mol 144 unq 0 iso 0 dist 9.73668 9.54955 10.4074 8.35821 7.64028 9.09684 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 7.54454 9.03971 6.47974 3.75201 6.73504 7.59939 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 7.18765 9.47487 5.2908 4.26432 9.10817 9.27218 numMergedOcc 0
13 mol 197 unq 1 iso 0 dist 7.41091 9.47487 6.23998 4.26432 6.86828 9.27218 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 4.71754 5.44212 6.02939 10.3147 13.6125 8.31974 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 9.30186 8.23463 7.12954 6.38826 8.1945 9.59574 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 6.51997 8.23463 11.8629 6.38826 12.0438 9.59574 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 8.58958 5.99388 10.6156 12.4759 11.6391 9.11572 numMergedOcc 0
18 mol 234 unq 1 iso 0 dist 7.17987 5.99388 5.56749 12.4759 7.81215 9.11572 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 8.70852 9.19369 11.8736 14.2456 16.7322 8.84648 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 8.70852 9.19369 11.8736 13.7396 12.8546 6.23661 numMergedOcc 0
21 mol 259 unq 2 iso 0 dist 9.89728 9.19369 5.79468 14.2456 11.7465 8.84648 numMergedOcc 0
22 mol 259 unq 3 iso 0 dist 9.89728 9.19369 5.79468 13.7396 5.85442 6.23661 numMergedOcc 0
23 mol 259 unq 4 iso 0 dist 6.42437 9.19369 12.6649 14.2456 19.0182 8.84648 numMergedOcc 0
24 mol 259 unq 5 iso 0 dist 6.42437 9.19369 12.6649 13.7396 16.0301 6.23661 numMergedOcc 0
