0 mol 1 unq 0 iso 0 dist 8.61411 9.44115 5.972 5.21705 7.68226 5.96833 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 7.99404 8.95503 5.30796 5.43912 9.75001 8.6136 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 7.99404 8.95503 5.30796 6.23648 9.06457 6.02154 numMergedOcc 0
3 mol 37 unq 0 iso 0 dist 7.7568 6.69711 9.08524 5.04485 8.98454 11.5424 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.34078 6.94351 5.29167 3.81058 9.21833 9.0927 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.06225 6.57826 7.43853 11.0447 8.5069 11.0013 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 9.47957 6.98838 5.71776 7.32542 9.07681 5.28732 numMergedOcc 0
7 mol 88 unq 1 iso 0 dist 9.4046 6.98838 6.64721 7.32542 5.9443 5.28732 numMergedOcc 0
8 mol 88 unq 2 iso 0 dist 9.4046 6.98838 6.64721 11.423 9.16708 10.3032 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 6.69328 8.46477 5.34199 3.70122 9.85653 11.9747 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 6.69328 8.46477 5.34199 3.79201 6.7188 5.81771 numMergedOcc 0
11 mol 110 unq 0 iso 0 dist 5.43052 9.29817 5.17209 10.3403 9.24252 10.7697 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 9.22427 8.07915 12.3565 13.5761 8.3656 18.8199 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 5.55129 8.07915 5.58057 5.4632 5.20262 8.42899 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 9.32504 7.97801 12.2713 13.6344 8.44633 18.7506 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 5.53778 7.97801 5.55906 5.36078 5.21792 8.33721 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 9.92635 7.42108 16.8061 10.4828 8.41645 17.6489 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.71223 9.08641 14.6658 3.6848 9.82338 10.5584 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.71223 9.08641 14.6658 5.33968 7.99933 14.1428 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 7.56537 9.62514 10.1284 5.38951 8.18029 11.3848 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 6.2441 8.27907 11.0649 3.5359 8.38813 11.2108 numMergedOcc 0
21 mol 219 unq 0 iso 0 dist 9.52151 7.15624 10.277 7.79138 8.38773 11.1883 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 8.38742 7.19662 4.69096 5.99784 7.87591 6.86569 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.46728 9.46582 6.23871 5.17342 8.28643 7.39547 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 9.46728 9.77231 10.1372 5.17342 8.28643 10.0287 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 8.28364 7.77265 6.88405 10.4256 7.89993 9.57085 numMergedOcc 0
26 mol 243 unq 1 iso 0 dist 8.28364 9.65322 12.946 10.4256 7.89993 16.9212 numMergedOcc 0
27 mol 269 unq 0 iso 0 dist 7.97206 9.92223 7.20409 12.7945 7.92043 13.7509 numMergedOcc 0
28 mol 269 unq 1 iso 0 dist 7.97206 5.98602 4.52168 12.7945 7.92043 11.2865 numMergedOcc 0
29 mol 269 unq 2 iso 0 dist 7.1068 9.78238 4.52168 3.70752 7.92043 11.2865 numMergedOcc 0
