0 mol 14 unq 0 iso 0 dist 9.31271 5.8321 7.73217 9.3765 9.58855 7.68094 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 9.31271 10.2904 5.99703 9.3765 9.58855 6.45626 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 5.56964 12.0214 8.77218 8.88275 4.79949 5.05789 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 5.56964 12.0214 8.77218 7.18485 7.27693 8.44806 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.84523 8.49138 9.41191 9.01694 5.34214 4.70745 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 5.57904 5.86552 8.86784 5.98568 5.53031 6.20072 numMergedOcc 0
6 mol 195 unq 0 iso 0 dist 8.3705 5.87625 7.04524 9.80071 7.62942 4.52076 numMergedOcc 0
7 mol 205 unq 0 iso 0 dist 6.15806 9.38106 7.51951 6.37333 5.60393 6.95682 numMergedOcc 0
8 mol 210 unq 0 iso 0 dist 8.71409 13.7809 6.13878 3.99796 5.37446 9.83001 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 6.21273 11.173 5.39218 6.71715 5.45036 7.67381 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 6.21273 11.173 5.39218 10.938 9.97586 10.0433 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 9.60159 7.50456 8.27093 11.2986 8.38865 5.86596 numMergedOcc 0
12 mol 227 unq 1 iso 0 dist 7.71761 5.76444 9.78611 8.14937 5.87815 6.3262 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 5.67917 4.35015 8.6771 6.85179 6.66971 6.60696 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 8.96639 4.35015 9.58767 6.85179 6.4398 6.60696 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 8.9706 4.23712 9.04358 7.43645 9.53063 9.27882 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 6.36173 10.6577 8.88221 6.35113 7.52109 5.53273 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 6.36173 10.6577 8.88221 5.54474 7.44083 10.3605 numMergedOcc 0
18 mol 274 unq 2 iso 0 dist 6.36173 11.0378 9.65027 6.35113 7.52109 8.13026 numMergedOcc 0
19 mol 274 unq 3 iso 0 dist 6.36173 11.0378 9.65027 5.54474 7.44083 5.99306 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 7.58272 8.45448 6.84604 12.325 7.67245 5.02589 numMergedOcc 0
