0 mol 34 unq 0 iso 0 dist 8.64844 8.6127 4.06864 6.97983 6.93364 9.25424 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.64844 8.6127 4.06864 10.4068 6.34821 10.1225 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 8.64844 9.25005 5.9339 6.97983 6.93364 7.69101 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 8.64844 9.25005 5.9339 10.4068 6.34821 9.57665 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 8.58057 8.86914 3.91174 9.45587 5.86571 5.42296 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 7.65992 7.07889 8.12741 12.7743 8.80104 16.438 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 9.4079 8.93477 6.98113 18.6094 9.52877 15.399 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 9.4079 8.93477 6.98113 9.30326 8.82738 12.5601 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 8.98302 7.45026 5.06489 10.0339 7.30343 11.3039 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 6.55773 7.87345 4.25001 7.06309 7.82011 9.81737 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 6.55773 9.01196 10.5877 7.06309 7.82011 15.6369 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 9.14135 8.99827 3.94083 15.3515 8.12589 11.2534 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 9.12067 8.97634 3.99423 15.4401 8.11592 11.256 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 7.77159 8.12953 4.83835 10.0825 9.47362 13.5213 numMergedOcc 0
14 mol 154 unq 1 iso 0 dist 7.77159 8.12953 4.83835 11.0324 6.28417 5.97134 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 8.28297 8.50234 8.42449 13.1818 8.50907 13.5659 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 9.10236 6.19516 13.4117 9.51526 7.78247 14.2155 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 8.45863 7.81831 8.28783 5.23668 7.2498 7.72298 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 6.52129 9.59909 6.43307 12.4402 7.61203 12.4235 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 6.52129 9.59909 6.43307 12.4266 9.47845 12.9803 numMergedOcc 0
20 mol 238 unq 2 iso 0 dist 6.52129 9.59909 6.43307 11.091 6.92409 8.54425 numMergedOcc 0
21 mol 238 unq 3 iso 0 dist 6.52129 9.59909 6.43307 10.4365 6.89694 12.149 numMergedOcc 0
22 mol 270 unq 0 iso 0 dist 5.63728 7.47193 4.42436 5.66191 7.89335 10.7874 numMergedOcc 0
