0 mol 16 unq 0 iso 0 dist 9.76968 12.1754 7.63133 8.55371 5.47769 5.94084 17.519 10.454 6.56335 11.6017 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 11.7823 6.73162 7.23546 17.8374 10.6756 5.69955 12.4188 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.88695 5.3315 8.34347 6.66387 9.16962 11.887 13.1078 13.2876 8.44506 19.4863 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 6.35048 9.83618 10.4442 16.6874 9.06158 9.93832 16.8624 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 6.35048 9.83618 9.49077 16.6874 9.06158 8.60739 16.8624 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.02717 11.0268 7.88312 9.81097 8.66155 4.61908 11.1443 7.21418 5.74857 9.62857 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 4.98864 10.9437 7.88312 5.46352 6.99777 11.7126 11.2871 7.3094 5.72642 9.9928 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 4.98864 10.9437 7.88312 10.1017 9.14376 4.62962 11.2871 7.3094 5.72642 9.68845 numMergedOcc 0
8 mol 115 unq 3 iso 0 dist 7.95871 12.0354 7.88312 10.3995 6.99777 11.7126 14.361 7.3094 5.72642 9.9928 numMergedOcc 0
9 mol 115 unq 4 iso 0 dist 7.95871 12.0354 7.88312 9.81323 9.14376 4.62962 14.361 7.3094 5.72642 9.68845 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 5.49877 3.96103 8.70949 6.53156 6.89257 8.84655 7.39532 5.97111 8.33077 6.42785 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 5.49877 3.96103 8.70949 4.72188 8.74308 6.76754 7.39532 5.97111 8.33077 10.3718 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 6.51591 9.13561 5.99333 16.5342 9.35627 9.77552 14.187 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 6.51591 9.13561 8.25411 16.5342 9.35627 8.28642 14.187 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 5.96555 4.6995 6.03031 12.5517 9.19704 8.66809 10.6084 5.28092 8.44861 5.42696 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 12.5517 9.19704 6.23291 10.6084 5.28092 5.60393 5.42696 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.66555 12.2428 6.22714 8.92175 7.49471 5.17471 15.1827 10.216 5.64181 6.44735 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 8.67205 8.66185 6.22714 5.94371 7.49471 5.17471 12.1317 10.216 5.64181 6.44735 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 4.09442 8.37865 5.31048 9.30428 7.31951 8.59697 6.39918 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 9.96394 11.5918 8.33638 5.98845 6.73206 5.63139 16.9819 8.7909 8.46061 11.7075 numMergedOcc 0
