0 mol 42 unq 0 iso 0 dist 9.25043 9.82637 7.27184 9.37073 11.211 9.29873 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.17303 9.15042 5.86727 10.9303 12.9095 9.18371 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.34695 7.51978 5.65405 13.323 10.4186 6.59893 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 7.34695 7.51978 5.65405 10.6593 6.10175 5.59773 numMergedOcc 0
4 mol 66 unq 0 iso 0 dist 8.2753 8.04639 15.1704 6.03391 13.3774 9.37957 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 8.60633 6.6606 6.13436 12.2255 13.6184 9.93344 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 7.45116 8.25651 11.5709 7.94744 14.0995 6.36021 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 8.37011 7.65229 7.97204 12.9793 13.8692 6.85381 numMergedOcc 0
8 mol 125 unq 0 iso 0 dist 9.99265 8.38646 12.2648 9.972 13.7608 8.84867 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 6.63046 6.07676 5.32859 5.90964 4.35909 7.44191 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 6.63046 6.07676 5.32859 6.18164 5.77393 6.00053 numMergedOcc 0
11 mol 211 unq 0 iso 0 dist 8.28291 9.82765 12.1617 9.43858 15.5698 8.63308 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 9.68994 6.83122 5.68711 12.2514 5.69733 8.49704 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 7.16671 7.13194 9.99053 8.83643 14.1304 9.31417 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 7.16671 7.13194 9.99053 4.55701 10.3944 5.56719 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 5.42362 7.80166 9.99053 11.1397 14.1304 9.31417 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 5.42362 7.80166 9.99053 8.53461 10.3944 5.56719 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 8.0425 5.76077 7.07333 8.19585 14.2163 7.7993 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 8.0425 5.76077 7.07333 6.8205 10.795 6.10761 numMergedOcc 0
19 mol 253 unq 2 iso 0 dist 7.0141 7.0247 7.07333 14.4438 14.2163 7.7993 numMergedOcc 0
20 mol 253 unq 3 iso 0 dist 7.0141 7.0247 7.07333 10.5134 10.795 6.10761 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 9.52832 7.22438 6.09229 9.38576 11.4523 6.94346 numMergedOcc 0
22 mol 272 unq 1 iso 0 dist 9.52832 7.66615 7.86199 14.8394 14.8737 9.1118 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 7.81701 8.74201 6.00521 8.46372 12.9431 9.12049 numMergedOcc 0
24 mol 282 unq 1 iso 0 dist 9.46797 6.65024 6.00521 3.7513 12.9431 9.12049 numMergedOcc 0
