0 mol 6 unq 0 iso 0 dist 9.94843 9.64829 9.16055 12.5999 7.54484 16.1982 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.41842 5.73206 4.77227 11.8297 7.82815 11.5059 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 5.44077 9.76585 8.43173 4.89928 6.34215 6.57633 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 8.34804 8.39857 14.8076 3.77705 6.44825 10.3748 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.25561 9.33989 6.6711 6.69911 8.12959 6.55112 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.97499 8.57953 6.6711 3.94216 8.12959 6.55112 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 7.67429 9.62357 6.42183 6.67053 8.33185 11.819 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 5.16143 9.25488 4.41993 5.05961 5.55218 9.33787 numMergedOcc 0
8 mol 155 unq 1 iso 0 dist 5.16143 8.02356 5.55092 5.05961 5.55218 8.99128 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 5.31333 6.36789 3.82682 9.03587 5.27578 8.09915 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 7.84215 9.44038 4.39855 10.0544 6.75579 10.4944 numMergedOcc 0
11 mol 217 unq 0 iso 0 dist 8.72578 7.81825 13.7573 3.59923 6.58871 9.48092 numMergedOcc 0
12 mol 217 unq 1 iso 0 dist 8.80103 7.81825 3.6199 14.0701 8.98494 12.5388 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 6.22332 6.97662 4.37243 13.5289 8.94981 12.692 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 6.22332 6.97662 4.37243 6.40342 5.90986 9.56254 numMergedOcc 0
15 mol 225 unq 2 iso 0 dist 6.22332 6.97662 4.37243 9.92088 7.50697 8.69052 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 8.93135 7.12027 4.91848 10.2069 8.31815 11.3198 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 9.17911 5.9223 14.8337 11.5766 9.6327 14.6305 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.47179 9.38187 10.1749 9.23896 6.06665 11.3399 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.47179 9.38187 10.1749 9.23896 6.06665 11.3399 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.47179 9.38187 10.1749 9.23896 6.06665 11.3399 numMergedOcc 0
