0 mol 115 unq 0 iso 0 dist 9.66954 7.64585 12.0796 7.69052 8.66155 12.2309 6.95773 10.8109 7.65255 6.01673 numMergedOcc 0
1 mol 119 unq 0 iso 0 dist 6.19042 7.44174 8.58342 9.22558 8.43904 13.4411 12.4621 14.4956 6.55202 16.9146 numMergedOcc 0
2 mol 119 unq 1 iso 0 dist 6.19042 7.44174 8.58342 9.22558 8.43904 13.4411 6.20019 6.13374 9.08536 4.39676 numMergedOcc 0
3 mol 119 unq 2 iso 0 dist 7.44174 6.19042 8.58342 11.3169 7.39889 15.1819 6.20019 9.08536 6.13374 14.443 numMergedOcc 0
4 mol 119 unq 3 iso 0 dist 7.44174 6.19042 8.58342 12.4603 9.63176 14.0269 6.20019 9.08536 6.13374 9.68677 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 9.12581 7.66168 6.09983 7.50049 8.74308 6.89257 11.1455 14.1282 8.9677 7.52422 numMergedOcc 0
6 mol 130 unq 1 iso 0 dist 8.74308 6.89257 6.09983 7.50049 9.12581 7.66168 7.52422 14.1282 8.9677 11.1455 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 7.36102 9.38946 5.68272 10.7616 7.39644 11.5473 4.91785 5.36254 7.29911 7.10286 numMergedOcc 0
8 mol 155 unq 1 iso 0 dist 7.70572 7.39644 9.42764 7.01918 8.65888 13.1369 7.10286 12.6321 5.36254 12.6999 numMergedOcc 0
9 mol 213 unq 0 iso 0 dist 9.59129 6.0965 6.04429 13.7995 8.45368 11.0791 10.1881 5.461 8.65196 4.72944 numMergedOcc 0
10 mol 218 unq 0 iso 0 dist 7.13323 9.50586 4.63933 7.83217 7.17547 9.29802 13.7327 8.61306 9.59426 15.6802 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 6.95902 9.62609 8.55671 5.22356 8.17891 13.4493 14.6485 11.7088 9.8009 18.6436 numMergedOcc 0
12 mol 228 unq 0 iso 0 dist 8.06181 9.42615 8.57673 5.43096 8.38048 12.7909 10.0586 14.5944 8.6457 15.2258 numMergedOcc 0
13 mol 228 unq 1 iso 0 dist 8.06181 9.42615 8.57673 5.43096 8.38048 12.7909 4.76982 11.5206 8.8055 9.54881 numMergedOcc 0
14 mol 228 unq 2 iso 0 dist 8.06181 9.42615 8.57673 11.1899 7.65132 14.9859 10.0586 14.5944 8.6457 20.289 numMergedOcc 0
15 mol 228 unq 3 iso 0 dist 8.06181 9.42615 8.57673 11.1899 7.65132 14.9859 4.76982 11.5206 8.8055 15.4887 numMergedOcc 0
16 mol 228 unq 4 iso 0 dist 8.06181 9.42615 8.57673 5.93014 8.53764 13.6165 10.0586 14.5944 8.6457 14.6447 numMergedOcc 0
17 mol 228 unq 5 iso 0 dist 8.06181 9.42615 8.57673 5.93014 8.53764 13.6165 4.76982 11.5206 8.8055 10.1955 numMergedOcc 0
18 mol 228 unq 6 iso 0 dist 7.77367 9.06121 8.22089 5.42695 8.20909 12.4332 9.80263 14.1961 8.66946 15.024 numMergedOcc 0
19 mol 228 unq 7 iso 0 dist 7.77367 9.06121 8.22089 5.42695 8.20909 12.4332 4.63053 11.1603 8.55761 9.47153 numMergedOcc 0
20 mol 228 unq 8 iso 0 dist 7.77367 9.06121 8.22089 11.3702 7.94506 14.7666 9.80263 14.1961 8.66946 20.2736 numMergedOcc 0
21 mol 228 unq 9 iso 0 dist 7.77367 9.06121 8.22089 11.3702 7.94506 14.7666 4.63053 11.1603 8.55761 15.5477 numMergedOcc 0
22 mol 228 unq 10 iso 0 dist 7.77367 9.06121 8.22089 6.001 8.15494 13.3068 9.80263 14.1961 8.66946 14.4701 numMergedOcc 0
23 mol 228 unq 11 iso 0 dist 7.77367 9.06121 8.22089 6.001 8.15494 13.3068 4.63053 11.1603 8.55761 10.1498 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 7.85175 9.5707 5.32617 5.88703 6.25105 10.3388 3.95629 7.36208 8.27411 5.53885 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 7.85175 9.5707 5.32617 5.88703 6.25105 10.3388 15.9732 9.73255 6.96257 15.8936 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 6.55759 7.02475 6.44245 5.42006 5.38637 9.98024 10.4966 9.38131 6.85253 13.378 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 6.55759 7.67322 10.677 5.42006 5.38637 12.0632 5.71717 12.0545 7.39547 10.1427 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 6.55759 7.19008 12.1411 5.42006 5.38637 12.0365 11.0772 14.4363 5.43613 16.0331 numMergedOcc 0
29 mol 238 unq 3 iso 0 dist 6.55759 7.19008 12.1411 5.42006 5.38637 12.0365 5.71717 12.0545 7.24334 10.1427 numMergedOcc 0
30 mol 238 unq 4 iso 0 dist 7.02475 6.55759 6.44245 12.9854 8.96531 13.9201 10.4966 6.85253 9.38131 5.79187 numMergedOcc 0
31 mol 238 unq 5 iso 0 dist 7.02475 7.67322 5.44694 12.9854 8.96531 10.0552 5.71717 10.3438 7.39547 14.4352 numMergedOcc 0
32 mol 238 unq 6 iso 0 dist 7.02475 7.19008 10.1756 12.9854 8.96531 10.0962 11.0772 10.529 5.43613 5.80212 numMergedOcc 0
33 mol 238 unq 7 iso 0 dist 7.02475 7.19008 10.1756 12.9854 8.96531 10.0962 5.71717 10.3438 7.24334 14.4352 numMergedOcc 0
34 mol 238 unq 8 iso 0 dist 8.14172 8.09066 10.9258 5.31152 6.77463 7.2766 6.13368 13.8875 8.69525 10.0605 numMergedOcc 0
35 mol 238 unq 9 iso 0 dist 6.77463 7.2766 10.9258 5.31152 8.14172 8.09066 10.0605 13.8875 8.69525 6.13368 numMergedOcc 0
36 mol 238 unq 10 iso 0 dist 7.19008 6.55759 12.1411 5.34096 7.49471 10.5202 10.4966 9.8744 9.38131 13.9569 numMergedOcc 0
37 mol 238 unq 11 iso 0 dist 7.19008 7.02475 10.1756 5.34096 7.49471 12.1784 10.4966 9.8744 6.85253 13.9569 numMergedOcc 0
38 mol 238 unq 12 iso 0 dist 7.19008 7.67322 9.50847 5.34096 7.49471 12.1937 5.71717 7.24334 7.39547 6.82305 numMergedOcc 0
