0 mol 68 unq 0 iso 0 dist 9.74289 4.55484 7.96497 5.37144 7.39665 7.39155 13.3899 14.224 16.5849 9.8703 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 7.09258 6.65814 9.02278 7.54321 6.21799 5.5067 13.6285 7.04035 14.5113 9.74228 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 7.09258 6.65814 9.02278 7.54321 6.21799 5.5067 13.592 8.24309 12.0903 7.12321 numMergedOcc 0
3 mol 72 unq 2 iso 0 dist 7.09258 6.65814 9.02278 5.2819 5.03251 4.01021 12.0429 5.8486 13.0378 9.56773 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.28058 10.6264 7.13087 10.8484 5.61588 8.97361 13.3369 8.07446 13.6145 5.5087 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 7.28058 10.6264 7.13087 14.7963 7.83244 10.2983 13.3369 8.07446 13.6145 6.08682 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.24378 11.2646 8.97793 8.52286 9.85905 9.21694 12.9184 10.2879 11.062 6.72869 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 7.24378 9.43349 8.19682 8.52286 9.85905 4.00608 12.9184 10.2879 6.21982 6.72869 numMergedOcc 0
8 mol 218 unq 0 iso 0 dist 9.95084 4.99098 8.53199 13.8104 7.33709 11.6662 14.328 4.72474 12.0819 8.75536 numMergedOcc 0
9 mol 218 unq 1 iso 0 dist 9.95084 4.99098 8.53199 13.8104 7.33709 11.6662 14.4283 5.61978 13.6555 6.67404 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 9.30186 6.4725 5.50387 6.38826 8.1945 3.92979 12.2976 13.3965 9.88956 6.50998 numMergedOcc 0
11 mol 234 unq 0 iso 0 dist 7.17987 5.04225 9.5707 12.4759 7.81215 11.8229 12.6184 10.2693 11.8897 5.64285 numMergedOcc 0
12 mol 234 unq 1 iso 0 dist 7.17987 6.99882 7.85175 12.4759 7.81215 10.5304 12.6184 10.2693 13.0678 5.64285 numMergedOcc 0
13 mol 257 unq 0 iso 0 dist 6.44188 5.02458 7.27505 6.16483 7.81897 7.89807 9.13483 5.74182 10.9918 6.34915 numMergedOcc 0
14 mol 257 unq 1 iso 0 dist 5.13633 8.75221 7.27505 5.48725 7.81897 7.89807 5.16581 5.74182 10.9918 6.34915 numMergedOcc 0
15 mol 277 unq 0 iso 0 dist 6.86014 6.60083 9.41725 14.6762 8.9682 18.3854 18.2066 11.8268 19.0768 9.57499 numMergedOcc 0
16 mol 277 unq 1 iso 0 dist 6.86014 6.60083 9.41725 14.6762 8.9682 18.3854 12.4435 7.08227 15.6511 5.46926 numMergedOcc 0
17 mol 277 unq 2 iso 0 dist 6.86014 6.60083 9.41725 11.68 6.92711 16.1088 12.4435 7.08227 15.6511 5.13913 numMergedOcc 0
18 mol 277 unq 3 iso 0 dist 5.97073 10.5543 9.41725 11.3103 8.9682 18.3854 12.8364 11.8268 19.0768 9.57499 numMergedOcc 0
19 mol 277 unq 4 iso 0 dist 5.97073 10.5543 9.41725 11.3103 8.9682 18.3854 11.2713 7.08227 15.6511 5.46926 numMergedOcc 0
20 mol 277 unq 5 iso 0 dist 5.97073 10.5543 9.41725 10.5734 6.92711 16.1088 11.2713 7.08227 15.6511 5.13913 numMergedOcc 0
21 mol 277 unq 6 iso 0 dist 6.49176 14.6973 9.41725 6.40883 8.9682 18.3854 10.0577 11.8268 19.0768 9.57499 numMergedOcc 0
22 mol 277 unq 7 iso 0 dist 6.49176 14.6973 9.41725 6.40883 8.9682 18.3854 8.23147 7.08227 15.6511 5.46926 numMergedOcc 0
23 mol 277 unq 8 iso 0 dist 6.49176 14.6973 9.41725 6.79352 6.92711 16.1088 8.23147 7.08227 15.6511 5.13913 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 7.29148 10.3993 9.454 14.9639 9.9182 8.68456 15.3813 10.3106 13.8513 7.30758 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 7.29148 10.3993 9.454 14.9639 9.9182 8.68456 18.975 12.1693 14.0515 9.10788 numMergedOcc 0
26 mol 292 unq 2 iso 0 dist 7.29148 10.3993 9.454 13.1177 8.9221 7.29981 18.975 12.1693 14.0515 8.85064 numMergedOcc 0
