0 mol 5 unq 0 iso 0 dist 9.81516 7.73592 8.62417 9.17453 14.2098 9.45855 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.17406 6.83929 10.6575 7.84694 3.91893 12.8934 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.64753 6.83929 15.1229 7.84694 4.94281 12.8934 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 8.28062 7.02425 6.07243 6.64571 10.8038 5.38122 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 6.90201 7.02425 6.02963 6.64571 5.6849 5.38122 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 8.42803 6.97819 9.96128 9.72104 7.24491 7.21298 numMergedOcc 0
6 mol 170 unq 0 iso 0 dist 8.20406 6.92359 5.04147 7.31063 8.04307 3.58196 numMergedOcc 0
7 mol 170 unq 1 iso 0 dist 7.75807 9.38182 5.04147 9.56192 8.04307 3.58196 numMergedOcc 0
8 mol 206 unq 0 iso 0 dist 7.17033 9.3174 5.95702 5.05188 3.62998 6.46925 numMergedOcc 0
9 mol 206 unq 1 iso 0 dist 7.17033 9.3174 5.95702 7.28682 6.00161 11.2589 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 6.85567 9.50048 12.0117 5.4353 12.0915 8.86421 numMergedOcc 0
11 mol 244 unq 0 iso 0 dist 7.34165 6.22884 6.20656 9.13546 11.2616 13.7603 numMergedOcc 0
12 mol 244 unq 1 iso 0 dist 7.34165 6.22884 6.20656 8.16952 9.69994 3.50877 numMergedOcc 0
13 mol 244 unq 2 iso 0 dist 7.34165 6.22884 6.20656 7.58413 14.0851 11.937 numMergedOcc 0
14 mol 244 unq 3 iso 0 dist 7.34165 8.69671 13.5662 9.13546 11.2616 4.99117 numMergedOcc 0
15 mol 244 unq 4 iso 0 dist 7.34165 8.69671 13.5662 8.16952 9.69994 15.4687 numMergedOcc 0
16 mol 244 unq 5 iso 0 dist 7.34165 8.69671 13.5662 7.58413 14.0851 5.39452 numMergedOcc 0
17 mol 244 unq 6 iso 0 dist 7.34165 7.67041 11.4275 9.13546 11.2616 13.997 numMergedOcc 0
18 mol 244 unq 7 iso 0 dist 7.34165 7.67041 11.4275 8.16952 9.69994 5.34357 numMergedOcc 0
19 mol 244 unq 8 iso 0 dist 7.34165 7.67041 11.4275 7.58413 14.0851 8.30932 numMergedOcc 0
20 mol 244 unq 9 iso 0 dist 6.61951 6.22884 8.30499 9.13546 13.2473 13.7603 numMergedOcc 0
21 mol 244 unq 10 iso 0 dist 6.61951 6.22884 8.30499 8.16952 7.44401 3.50877 numMergedOcc 0
22 mol 244 unq 11 iso 0 dist 6.61951 6.22884 8.30499 7.58413 5.68434 11.937 numMergedOcc 0
23 mol 244 unq 12 iso 0 dist 6.61951 8.69671 10.3324 9.13546 13.2473 4.99117 numMergedOcc 0
24 mol 244 unq 13 iso 0 dist 6.61951 8.69671 10.3324 8.16952 7.44401 15.4687 numMergedOcc 0
25 mol 244 unq 14 iso 0 dist 6.61951 8.69671 10.3324 7.58413 5.68434 5.39452 numMergedOcc 0
26 mol 244 unq 15 iso 0 dist 6.61951 7.67041 4.07316 9.13546 13.2473 13.997 numMergedOcc 0
27 mol 244 unq 16 iso 0 dist 6.61951 7.67041 4.07316 8.16952 7.44401 5.34357 numMergedOcc 0
28 mol 244 unq 17 iso 0 dist 6.61951 7.67041 4.07316 7.58413 5.68434 8.30932 numMergedOcc 0
29 mol 270 unq 0 iso 0 dist 8.93707 7.22577 13.6383 7.37835 9.56946 5.44726 numMergedOcc 0
30 mol 270 unq 1 iso 0 dist 8.93707 7.22577 13.6383 4.62449 6.72549 10.4791 numMergedOcc 0
31 mol 270 unq 2 iso 0 dist 8.93707 7.66938 10.7819 7.37835 9.56946 3.60656 numMergedOcc 0
32 mol 270 unq 3 iso 0 dist 8.93707 7.66938 10.7819 4.62449 6.72549 8.0541 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 8.93031 7.39049 4.09485 7.51198 4.36814 5.21887 numMergedOcc 0
