0 mol 32 unq 0 iso 0 dist 6.19304 5.28639 4.62858 8.89053 7.14527 7.48825 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.13116 9.00089 9.25346 14.1954 11.9626 7.71914 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 9.70029 5.92759 6.47855 7.54441 10.3659 8.43814 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 9.70029 5.92759 6.47855 9.84326 5.7332 8.16689 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.98874 13.452 7.34031 19.952 12.9941 9.54797 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 8.95622 10.6656 7.70313 17.566 11.4407 7.99631 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 8.95622 10.6656 7.70313 12.5727 5.67953 6.40036 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 7.43112 10.8174 6.21403 14.8345 7.99114 6.4218 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 6.09693 6.51469 6.21403 11.8083 7.99114 6.4218 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.61279 6.13514 5.26989 11.4568 8.7258 6.2135 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 6.40435 5.32985 5.81122 11.9574 10.143 6.90155 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 6.70008 8.70736 9.19117 11.6161 8.00091 6.74517 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.99409 10.168 5.95304 9.30874 4.43678 8.20656 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 9.99409 10.168 5.95304 5.54873 6.03415 9.40622 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 6.65275 10.2228 7.57454 15.3735 9.75331 7.95168 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 6.71099 6.12197 7.10413 14.3123 10.4271 9.86861 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 8.52162 13.4787 7.04753 7.90344 4.38002 6.00721 numMergedOcc 0
17 mol 250 unq 0 iso 0 dist 9.71793 7.30773 5.97993 11.6461 6.40578 8.86638 numMergedOcc 0
18 mol 250 unq 1 iso 0 dist 9.71793 6.25679 6.44252 11.6461 6.40578 5.94383 numMergedOcc 0
19 mol 250 unq 2 iso 0 dist 9.71793 6.25679 6.44252 10.5294 9.48491 7.88284 numMergedOcc 0
