0 mol 54 unq 0 iso 0 dist 6.29729 5.50049 6.83299 7.33412 6.14538 4.29856 7.54869 5.08001 9.5589 10.6808 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 6.29729 5.50049 6.83299 7.33412 6.14538 4.29856 13.1839 14.2075 8.10861 10.4158 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 7.40411 11.5553 7.71095 8.26644 6.73347 9.64444 15.3606 10.0246 6.85766 14.8852 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 6.97123 7.20068 6.65721 7.69177 9.25641 13.5488 9.532 6.86346 6.72123 14.4663 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 7.60252 9.89539 9.96708 9.17208 9.27838 11.6378 13.3874 8.24309 9.78528 16.0048 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 6.12086 4.98369 8.03644 6.50009 9.49454 11.4333 7.89797 8.41707 7.27724 12.1092 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 7.93544 9.11942 8.03644 10.8302 9.49454 11.4333 14.2456 8.41707 7.27724 12.1092 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 6.65519 4.88092 6.85062 15.1611 8.70296 14.2045 9.20372 10.7062 8.40312 18.0058 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 6.65519 4.88092 6.85062 15.1611 8.70296 14.2045 8.8389 6.63273 7.12972 12.6227 numMergedOcc 0
9 mol 131 unq 2 iso 0 dist 6.65519 4.88092 6.85062 7.93002 9.25558 5.09131 9.20372 10.7062 8.40312 13.44 numMergedOcc 0
10 mol 131 unq 3 iso 0 dist 6.65519 4.88092 6.85062 7.93002 9.25558 5.09131 8.8389 6.63273 7.12972 11.586 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 6.70271 10.8963 7.11802 7.9145 9.22232 16.0138 6.2109 8.18495 8.00618 12.7901 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 6.70271 10.8963 7.11802 14.5816 9.22661 5.92062 6.2109 8.18495 8.00618 13.5028 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 6.70271 10.8963 7.11802 13.5985 7.56378 6.61891 6.2109 8.18495 8.00618 11.8433 numMergedOcc 0
14 mol 133 unq 3 iso 0 dist 5.44721 5.0869 6.29155 5.63869 6.16242 4.54648 10.2801 7.81217 6.80239 5.87634 numMergedOcc 0
15 mol 133 unq 4 iso 0 dist 5.44721 5.0869 6.29155 5.63869 6.16242 4.54648 12.9622 11.965 8.00618 10.9061 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 6.78537 9.45246 7.7366 11.9537 6.16414 6.45859 9.94272 5.63422 9.774 7.75885 numMergedOcc 0
17 mol 206 unq 1 iso 0 dist 6.78537 9.45246 7.7366 9.52969 7.33701 4.40897 9.94272 5.63422 9.774 11.4872 numMergedOcc 0
18 mol 206 unq 2 iso 0 dist 6.78537 9.45246 7.7366 7.66993 8.0871 7.62219 9.94272 5.63422 9.774 13.2041 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 9.07855 15.5856 7.46176 11.8656 7.08526 8.81835 9.85796 6.96053 7.88519 7.98231 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 9.07855 15.5856 7.46176 11.8656 7.08526 8.81835 11.4278 7.64658 7.84554 11.6972 numMergedOcc 0
21 mol 259 unq 2 iso 0 dist 9.07855 15.5856 7.46176 11.8656 7.08526 8.81835 15.7753 10.5239 9.18903 15.8414 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 7.51284 11.5015 6.24356 4.51189 5.93616 7.52936 15.8274 10.3202 9.361 13.2142 numMergedOcc 0
