0 mol 18 unq 0 iso 0 dist 6.39307 4.25207 5.65084 11.0331 12.6536 9.51761 10.2493 4.8604 7.55766 12.4713 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.39307 4.25207 5.65084 11.4245 9.36767 7.3094 10.2493 4.8604 7.55766 6.48196 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.36381 5.80023 7.27472 9.54519 5.50396 7.36323 8.70141 5.11135 9.24958 4.33963 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.27137 5.59268 4.79873 10.5993 10.2864 7.57578 5.97432 6.86525 6.90155 9.36158 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.27137 5.59268 4.79873 8.88413 11.4148 7.17969 5.97432 6.86525 6.90155 10.1525 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 8.42219 11.8122 9.42082 18.633 15.3161 7.30858 15.7691 10.5109 5.72642 5.61704 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 8.42219 11.8122 9.42082 12.5192 6.63111 5.83991 15.7691 10.5109 5.72642 6.4497 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 8.42219 11.8122 9.42082 10.8398 6.07067 7.88312 15.7691 10.5109 5.72642 7.3094 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 5.82945 3.96103 6.93139 5.49877 4.97996 8.70949 7.39532 6.76477 8.33077 5.97111 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 9.10434 5.6098 9.27976 6.31125 3.98662 8.40312 10.1423 5.30999 8.86329 5.89022 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 9.15758 7.17402 7.18002 11.8539 13.5913 9.2313 16.1421 11.093 9.17106 12.6057 numMergedOcc 0
11 mol 142 unq 1 iso 0 dist 9.15758 7.17402 7.18002 12.2814 9.99555 7.73169 16.1421 11.093 9.17106 8.38032 numMergedOcc 0
12 mol 142 unq 2 iso 0 dist 9.15758 7.17402 7.18002 13.141 6.52253 8.96657 16.1421 11.093 9.17106 8.16815 numMergedOcc 0
13 mol 223 unq 0 iso 0 dist 9.6936 8.78003 9.33543 16.8669 13.1538 8.77153 11.6638 9.63911 6.13306 6.52273 numMergedOcc 0
14 mol 223 unq 1 iso 0 dist 9.6936 8.78003 9.33543 13.1127 5.39728 8.6166 11.6638 9.63911 6.13306 7.12885 numMergedOcc 0
15 mol 223 unq 2 iso 0 dist 9.36733 5.33327 9.33543 13.9834 13.1538 8.77153 9.86699 9.63911 6.13306 6.52273 numMergedOcc 0
16 mol 223 unq 3 iso 0 dist 9.36733 5.33327 9.33543 11.478 5.39728 8.6166 9.86699 9.63911 6.13306 7.12885 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 7.13727 12.521 9.72188 9.94315 7.06793 5.72887 16.6013 13.0611 7.32982 12.3808 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 8.56975 9.18011 9.72188 8.59074 7.06793 5.72887 13.3717 13.0611 7.32982 12.3808 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 10.5892 10.067 7.46176 9.30428 7.32929 8.55558 5.60748 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 4.95855 5.59901 6.9899 9.12507 7.09907 5.30224 9.30428 7.32929 8.59697 7.31951 numMergedOcc 0
21 mol 259 unq 2 iso 0 dist 7.72489 5.41945 6.95511 10.5892 11.6988 7.46176 9.30428 9.55426 8.55558 5.60748 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 9.13546 13.8765 8.29262 19.6488 10.7813 9.17653 8.28871 5.82131 6.14323 13.0621 numMergedOcc 0
23 mol 264 unq 1 iso 0 dist 7.19658 6.12009 8.29262 10.7664 10.7813 9.17653 7.94668 5.82131 6.14323 13.0621 numMergedOcc 0
