0 mol 0 unq 0 iso 0 dist 9.23213 8.81979 9.14029 12.9149 8.66548 16.8764 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.36807 7.31201 6.57017 13.156 8.81608 14.144 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.85412 6.33889 5.80437 5.84314 9.71516 9.81658 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.33889 6.85412 5.80437 5.84314 9.81658 9.71516 numMergedOcc 0
4 mol 39 unq 0 iso 0 dist 7.45237 7.33969 4.85203 9.26784 8.94353 12.8759 numMergedOcc 0
5 mol 39 unq 1 iso 0 dist 7.45237 7.33969 4.85203 10.2083 7.30265 8.98219 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.19682 8.97793 5.67347 15.4159 9.4866 13.9204 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 7.64585 9.66954 12.0796 6.95773 7.65255 10.8109 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 6.19042 9.38288 6.59581 6.20019 6.13374 12.4009 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 6.19042 7.44174 8.58342 6.20019 6.13374 9.08536 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 7.44174 9.38288 11.6138 12.4621 6.55202 18.1654 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 7.44174 9.38288 11.6138 6.20019 9.08536 12.4009 numMergedOcc 0
12 mol 119 unq 4 iso 0 dist 7.44174 6.19042 8.58342 12.4621 6.55202 14.4956 numMergedOcc 0
13 mol 119 unq 5 iso 0 dist 7.44174 6.19042 8.58342 6.20019 9.08536 6.13374 numMergedOcc 0
14 mol 119 unq 6 iso 0 dist 8.43904 9.80862 4.84196 4.39676 6.13374 9.56225 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 7.66168 9.12581 6.09983 11.1455 8.9677 14.1282 numMergedOcc 0
16 mol 130 unq 1 iso 0 dist 6.89257 8.74308 6.09983 7.52422 8.9677 14.1282 numMergedOcc 0
17 mol 155 unq 0 iso 0 dist 9.38946 7.36102 5.68272 4.91785 7.29911 5.36254 numMergedOcc 0
18 mol 155 unq 1 iso 0 dist 7.39644 7.70572 9.42764 7.10286 5.36254 12.6321 numMergedOcc 0
19 mol 155 unq 2 iso 0 dist 7.36102 9.38946 5.68272 4.91785 5.36254 7.29911 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 5.48258 6.15769 7.46053 4.66791 7.10155 9.48418 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 5.48258 6.15769 7.46053 5.97754 6.11135 6.54481 numMergedOcc 0
22 mol 194 unq 2 iso 0 dist 6.15769 5.48258 7.46053 5.97754 6.54481 6.11135 numMergedOcc 0
23 mol 195 unq 0 iso 0 dist 8.36117 6.77578 5.42587 6.04871 5.87439 8.18059 numMergedOcc 0
24 mol 195 unq 1 iso 0 dist 6.77578 8.36117 5.42587 6.04871 8.18059 5.87439 numMergedOcc 0
25 mol 197 unq 0 iso 0 dist 8.99696 7.85058 14.5931 17.0276 9.27218 20.5432 numMergedOcc 0
26 mol 197 unq 1 iso 0 dist 8.99696 9.96638 8.44549 17.0276 9.27218 11.4804 numMergedOcc 0
27 mol 213 unq 0 iso 0 dist 6.0965 9.59129 6.04429 10.1881 8.65196 5.461 numMergedOcc 0
28 mol 213 unq 1 iso 0 dist 9.59129 6.0965 6.04429 10.1881 5.461 8.65196 numMergedOcc 0
29 mol 218 unq 0 iso 0 dist 9.50586 7.13323 4.63933 13.7327 9.59426 8.61306 numMergedOcc 0
30 mol 218 unq 1 iso 0 dist 7.17547 7.18041 9.17818 15.6802 8.61306 15.505 numMergedOcc 0
31 mol 218 unq 2 iso 0 dist 7.13323 9.50586 4.63933 13.7327 8.61306 9.59426 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 9.62609 6.95902 8.55671 14.6485 9.8009 11.7088 numMergedOcc 0
33 mol 227 unq 1 iso 0 dist 6.95902 9.62609 8.55671 4.69247 7.79951 10.4959 numMergedOcc 0
34 mol 228 unq 0 iso 0 dist 9.42615 8.06181 8.57673 10.0586 8.6457 14.5944 numMergedOcc 0
35 mol 228 unq 1 iso 0 dist 9.42615 8.06181 8.57673 4.76982 8.8055 11.5206 numMergedOcc 0
36 mol 228 unq 2 iso 0 dist 8.06181 9.42615 8.57673 9.3302 7.84881 11.3082 numMergedOcc 0
37 mol 228 unq 3 iso 0 dist 7.77367 9.06121 8.22089 9.39743 7.86746 10.9596 numMergedOcc 0
38 mol 228 unq 4 iso 0 dist 9.06121 7.77367 8.22089 9.80263 8.66946 14.1961 numMergedOcc 0
39 mol 228 unq 5 iso 0 dist 9.06121 7.77367 8.22089 4.63053 8.55761 11.1603 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 9.5707 7.85175 5.32617 3.95629 8.27411 7.36208 numMergedOcc 0
41 mol 234 unq 1 iso 0 dist 9.5707 7.85175 5.32617 15.9732 6.96257 9.73255 numMergedOcc 0
42 mol 234 unq 2 iso 0 dist 7.85175 9.5707 5.32617 3.95629 7.36208 8.27411 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 6.55759 7.02475 6.44245 10.4966 9.38131 6.85253 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 6.55759 7.67322 10.677 10.4966 9.38131 10.6954 numMergedOcc 0
45 mol 238 unq 2 iso 0 dist 6.55759 7.19008 12.1411 10.4966 9.38131 9.8744 numMergedOcc 0
46 mol 238 unq 3 iso 0 dist 7.02475 6.55759 6.44245 10.4966 6.85253 9.38131 numMergedOcc 0
47 mol 238 unq 4 iso 0 dist 7.02475 7.67322 5.44694 10.4966 6.85253 10.6954 numMergedOcc 0
48 mol 238 unq 5 iso 0 dist 7.02475 7.19008 10.1756 10.4966 6.85253 9.8744 numMergedOcc 0
49 mol 238 unq 6 iso 0 dist 7.67322 6.55759 10.677 5.71717 7.39547 12.0545 numMergedOcc 0
50 mol 238 unq 7 iso 0 dist 7.67322 7.02475 5.44694 5.71717 7.39547 10.3438 numMergedOcc 0
51 mol 238 unq 8 iso 0 dist 7.67322 7.19008 9.50847 5.71717 7.39547 7.24334 numMergedOcc 0
52 mol 238 unq 9 iso 0 dist 8.09066 8.14172 10.9258 6.13368 8.69525 13.8875 numMergedOcc 0
53 mol 238 unq 10 iso 0 dist 7.2766 6.77463 10.9258 10.0605 8.69525 13.8875 numMergedOcc 0
54 mol 238 unq 11 iso 0 dist 7.19008 6.55759 12.1411 11.0772 5.43613 14.4363 numMergedOcc 0
55 mol 238 unq 12 iso 0 dist 7.19008 6.55759 12.1411 5.71717 7.24334 12.0545 numMergedOcc 0
56 mol 238 unq 13 iso 0 dist 7.19008 7.02475 10.1756 11.0772 5.43613 10.529 numMergedOcc 0
57 mol 238 unq 14 iso 0 dist 7.19008 7.02475 10.1756 5.71717 7.24334 10.3438 numMergedOcc 0
58 mol 238 unq 15 iso 0 dist 7.19008 7.67322 9.50847 11.0772 5.43613 9.99105 numMergedOcc 0
59 mol 238 unq 16 iso 0 dist 7.19008 7.67322 9.50847 5.71717 7.24334 7.39547 numMergedOcc 0
