0 mol 91 unq 0 iso 0 dist 9.60916 8.57379 8.94991 6.16333 8.86252 10.6508 numMergedOcc 0
1 mol 91 unq 1 iso 0 dist 9.44798 15.9821 8.94991 9.92822 8.86252 10.6508 numMergedOcc 0
2 mol 134 unq 0 iso 0 dist 8.49649 5.84146 8.22824 11.9678 9.60369 8.04019 numMergedOcc 0
3 mol 134 unq 1 iso 0 dist 8.49649 5.84146 8.22824 13.0109 9.55556 11.4517 numMergedOcc 0
4 mol 171 unq 0 iso 0 dist 9.53702 12.999 7.7195 6.71379 6.07091 11.071 numMergedOcc 0
5 mol 171 unq 1 iso 0 dist 9.53702 15.5015 8.30819 6.71379 6.07091 10.3893 numMergedOcc 0
6 mol 173 unq 0 iso 0 dist 6.46871 13.656 8.91036 7.11247 8.1088 9.63894 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 6.22466 8.50695 5.39622 8.63909 8.96988 5.01462 numMergedOcc 0
8 mol 187 unq 0 iso 0 dist 9.70054 8.28318 8.45366 13.9 9.36086 10.7804 numMergedOcc 0
9 mol 229 unq 0 iso 0 dist 4.38586 11.2221 8.17234 6.81165 8.6537 12.61 numMergedOcc 0
10 mol 229 unq 1 iso 0 dist 4.38586 11.2221 8.17234 5.33253 8.75374 12.7466 numMergedOcc 0
11 mol 229 unq 2 iso 0 dist 4.38586 11.2221 8.17234 5.23042 7.10634 11.0366 numMergedOcc 0
12 mol 229 unq 3 iso 0 dist 4.38586 11.2221 8.17234 6.21905 5.57702 6.23286 numMergedOcc 0
13 mol 229 unq 4 iso 0 dist 9.40399 7.36484 8.17234 13.4159 8.6537 12.61 numMergedOcc 0
14 mol 229 unq 5 iso 0 dist 9.40399 7.36484 8.17234 10.5998 8.75374 12.7466 numMergedOcc 0
15 mol 229 unq 6 iso 0 dist 9.40399 7.36484 8.17234 6.51215 7.10634 11.0366 numMergedOcc 0
16 mol 229 unq 7 iso 0 dist 9.40399 7.36484 8.17234 6.91804 5.57702 6.23286 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 5.65943 6.00606 5.67249 5.28657 7.46434 5.19951 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 6.79115 5.70162 5.40329 8.93012 9.89665 12.338 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 6.79115 5.70162 5.40329 10.5925 9.05929 5.81354 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 8.99187 14.1982 6.84909 7.70638 9.64124 11.5692 numMergedOcc 0
21 mol 292 unq 1 iso 0 dist 8.99187 14.1982 6.84909 5.67679 9.30668 11.634 numMergedOcc 0
