0 mol 48 unq 0 iso 0 dist 9.53081 12.665 7.34325 10.4571 5.27001 9.85865 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 9.53081 14.1985 6.42037 10.4571 5.27001 8.74946 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 6.70095 5.86191 8.56916 8.83047 5.75171 6.2676 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 4.34694 4.93697 7.47162 5.14178 4.66422 5.17145 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.61089 9.62824 6.30814 12.9634 6.15669 8.04168 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 8.61089 9.96442 7.318 12.9634 6.15669 5.70907 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 8.64686 5.21981 6.30814 6.07578 6.15669 8.04168 numMergedOcc 0
7 mol 79 unq 3 iso 0 dist 8.64686 8.12985 7.318 6.07578 6.15669 5.70907 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 7.2118 4.93836 5.25361 11.572 9.50103 7.26995 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 6.54778 5.33859 8.40389 10.6323 8.20908 7.59156 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 8.57909 10.2125 8.40389 13.8478 8.20908 7.59156 numMergedOcc 0
11 mol 159 unq 0 iso 0 dist 9.9368 15.7186 9.45909 18.6675 9.94088 6.07821 numMergedOcc 0
12 mol 170 unq 0 iso 0 dist 8.10386 11.6479 9.66676 14.7835 11.0716 5.13268 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 8.84987 5.62792 7.50455 6.40448 9.27924 9.20493 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 7.2833 4.79025 9.20541 5.46768 4.52076 6.34234 numMergedOcc 0
15 mol 195 unq 1 iso 0 dist 7.2833 6.01032 6.65077 5.46768 4.52076 7.87972 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 8.48545 3.28983 9.993 10.2997 12.7949 8.88763 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 8.48545 3.28983 9.993 8.83751 10.4475 6.43209 numMergedOcc 0
18 mol 239 unq 2 iso 0 dist 8.48545 3.28983 9.993 8.77688 5.68875 8.48769 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 8.03486 4.91802 8.34313 7.5355 10.4013 5.81528 numMergedOcc 0
