0 mol 41 unq 0 iso 0 dist 9.59131 8.91418 5.14132 11.3802 6.91278 9.22814 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.4022 8.39101 4.42702 4.16711 7.5434 7.58673 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.74131 9.28803 9.59811 4.20398 5.55798 9.74201 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 8.00003 9.75205 10.8145 9.04108 14.4761 7.11852 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 8.53731 7.50886 8.32999 6.76815 8.79677 6.06039 numMergedOcc 0
5 mol 114 unq 1 iso 0 dist 8.53731 7.25217 5.28095 11.7727 15.0895 9.9778 numMergedOcc 0
6 mol 114 unq 2 iso 0 dist 8.53731 7.25217 5.28095 6.76815 8.79677 9.36502 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.64946 6.73897 6.11049 5.9683 11.9103 8.03691 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 9.50603 7.65559 13.6855 11.9416 20.3984 8.8048 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 8.15747 7.42108 9.54124 3.94874 6.0782 8.55287 numMergedOcc 0
10 mol 183 unq 1 iso 0 dist 5.44125 7.42108 9.81014 3.94874 9.34187 8.55287 numMergedOcc 0
11 mol 183 unq 2 iso 0 dist 8.7143 9.19941 9.81014 12.483 9.34187 8.55287 numMergedOcc 0
12 mol 210 unq 0 iso 0 dist 9.718 6.87234 10.1799 7.8713 15.3522 6.2024 numMergedOcc 0
13 mol 210 unq 1 iso 0 dist 8.61629 6.87234 8.05096 7.8713 12.8779 6.2024 numMergedOcc 0
14 mol 233 unq 0 iso 0 dist 7.74693 7.83363 5.3674 7.87406 11.5286 7.6416 numMergedOcc 0
15 mol 243 unq 0 iso 0 dist 5.86679 8.53888 4.12468 12.8993 11.4335 8.75924 numMergedOcc 0
16 mol 243 unq 1 iso 0 dist 8.28347 9.46855 4.12468 9.17097 11.4335 8.75924 numMergedOcc 0
