0 mol 11 unq 0 iso 0 dist 9.62742 13.2938 9.76233 17.0802 11.8533 6.83186 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.43134 11.9747 6.76158 12.1071 4.3475 8.53424 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 8.43134 14.3271 7.423 12.1071 4.3475 7.08766 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 8.43134 12.8218 5.89257 12.1071 4.3475 4.82199 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 8.09741 10.7721 7.30934 11.2729 4.3421 5.24346 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 8.50734 5.70681 6.38269 6.61697 10.3017 5.31126 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 8.50734 5.70681 6.38269 9.12562 10.3632 4.49669 numMergedOcc 0
7 mol 113 unq 2 iso 0 dist 8.50734 5.70681 6.38269 11.5832 9.86085 6.00221 numMergedOcc 0
8 mol 113 unq 3 iso 0 dist 8.50734 5.08157 7.11196 6.61697 10.3017 7.16619 numMergedOcc 0
9 mol 113 unq 4 iso 0 dist 8.50734 5.08157 7.11196 9.12562 10.3632 5.88896 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 4.79414 4.83329 5.56913 11.9921 11.3762 9.02015 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 7.642 5.73931 6.18165 6.85177 6.5732 5.10589 numMergedOcc 0
12 mol 169 unq 1 iso 0 dist 7.642 5.73931 6.18165 8.88729 4.14139 4.63336 numMergedOcc 0
13 mol 169 unq 2 iso 0 dist 7.642 5.73931 6.18165 11.5631 7.73206 6.10715 numMergedOcc 0
14 mol 243 unq 0 iso 0 dist 6.30075 10.6784 8.35328 11.4332 6.56644 4.55853 numMergedOcc 0
15 mol 243 unq 1 iso 0 dist 9.7462 15.977 8.35328 15.8367 6.56644 4.55853 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 7.5129 12.1108 7.13397 5.33881 4.38276 8.62655 numMergedOcc 0
17 mol 260 unq 1 iso 0 dist 7.5129 12.7836 5.33278 15.0955 8.90225 6.48099 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 7.21215 4.5731 9.20906 7.96613 10.0526 7.80711 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 7.21215 4.5731 9.20906 14.3456 16.8584 9.9965 numMergedOcc 0
20 mol 281 unq 0 iso 0 dist 6.33726 10.8706 7.82358 12.2306 12.9503 7.90368 numMergedOcc 0
21 mol 281 unq 1 iso 0 dist 6.33726 10.8706 7.82358 14.666 9.45924 6.69267 numMergedOcc 0
22 mol 281 unq 2 iso 0 dist 6.60861 7.60311 7.82358 7.8046 12.9503 7.90368 numMergedOcc 0
23 mol 281 unq 3 iso 0 dist 6.60861 7.60311 7.82358 11.1901 9.45924 6.69267 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 7.1839 7.34358 4.97488 8.06614 4.34603 8.07775 numMergedOcc 0
