0 mol 7 unq 0 iso 0 dist 7.31201 9.36807 6.57017 6.1206 4.40641 7.92429 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.36807 7.31201 6.57017 6.1206 7.92429 4.40641 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.31201 9.36807 6.57017 7.67927 5.03278 11.2233 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 9.36807 7.31201 6.57017 7.67927 11.2233 5.03278 numMergedOcc 0
4 mol 39 unq 0 iso 0 dist 7.33969 7.45237 4.85203 8.70192 6.58458 10.5834 numMergedOcc 0
5 mol 39 unq 0 iso 1 dist 7.45237 7.33969 4.85203 8.70192 10.5834 6.58458 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.97793 8.19682 5.67347 9.85905 9.21694 4.00608 numMergedOcc 0
7 mol 76 unq 0 iso 1 dist 8.19682 8.97793 5.67347 9.85905 4.00608 9.21694 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 8.66514 9.25235 4.61166 7.80898 7.15936 10.8763 numMergedOcc 0
9 mol 88 unq 0 iso 1 dist 9.25235 8.66514 4.61166 7.80898 10.8763 7.15936 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.66954 7.64585 12.0796 6.39384 6.49835 5.65471 numMergedOcc 0
11 mol 115 unq 0 iso 1 dist 7.64585 9.66954 12.0796 6.39384 5.65471 6.49835 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 7.66168 9.12581 6.09983 9.98797 4.02212 5.46642 numMergedOcc 0
13 mol 130 unq 0 iso 1 dist 9.12581 7.66168 6.09983 9.98797 5.46642 4.02212 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 9.14392 7.51198 7.63368 8.97626 12.0485 4.48516 numMergedOcc 0
15 mol 155 unq 0 iso 1 dist 7.51198 9.14392 7.63368 8.97626 4.48516 12.0485 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 7.98142 7.37327 6.46849 6.64173 4.48306 4.88823 numMergedOcc 0
17 mol 181 unq 0 iso 1 dist 7.37327 7.98142 6.46849 6.64173 4.88823 4.48306 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 7.98142 7.37327 6.46849 9.01624 12.2513 14.8923 numMergedOcc 0
19 mol 181 unq 1 iso 1 dist 7.37327 7.98142 6.46849 9.01624 14.8923 12.2513 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 7.98142 7.37327 6.46849 9.55105 10.2172 14.2334 numMergedOcc 0
21 mol 181 unq 2 iso 1 dist 7.37327 7.98142 6.46849 9.55105 14.2334 10.2172 numMergedOcc 0
22 mol 195 unq 0 iso 0 dist 8.36117 6.77578 5.42587 9.03441 9.33403 4.191 numMergedOcc 0
23 mol 195 unq 0 iso 1 dist 6.77578 8.36117 5.42587 9.03441 4.191 9.33403 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 6.0965 9.59129 6.04429 8.21793 4.31175 4.89372 numMergedOcc 0
25 mol 213 unq 0 iso 1 dist 9.59129 6.0965 6.04429 8.21793 4.89372 4.31175 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 6.97182 6.1175 5.93129 7.46481 11.357 10.9581 numMergedOcc 0
27 mol 214 unq 0 iso 1 dist 6.1175 6.97182 5.93129 7.46481 10.9581 11.357 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 9.62609 6.95902 8.55671 6.91318 11.5454 4.09934 numMergedOcc 0
29 mol 227 unq 0 iso 1 dist 6.95902 9.62609 8.55671 6.91318 4.09934 11.5454 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 9.5707 7.85175 5.32617 7.81215 11.8229 10.5304 numMergedOcc 0
31 mol 234 unq 0 iso 1 dist 7.85175 9.5707 5.32617 7.81215 10.5304 11.8229 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 6.55759 7.02475 6.44245 9.12776 15.4844 13.037 numMergedOcc 0
33 mol 238 unq 0 iso 1 dist 7.02475 6.55759 6.44245 9.12776 13.037 15.4844 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 6.55759 7.67322 10.677 9.12776 15.4844 9.75095 numMergedOcc 0
35 mol 238 unq 1 iso 1 dist 7.67322 6.55759 10.677 9.12776 9.75095 15.4844 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 6.55759 7.19008 12.1411 9.12776 15.4844 6.12722 numMergedOcc 0
37 mol 238 unq 2 iso 1 dist 7.19008 6.55759 12.1411 9.12776 6.12722 15.4844 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 7.02475 7.67322 5.44694 9.12776 13.037 9.75095 numMergedOcc 0
39 mol 238 unq 1 iso 1 dist 7.67322 7.02475 5.44694 9.12776 9.75095 13.037 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 7.02475 7.19008 10.1756 9.12776 13.037 6.12722 numMergedOcc 0
41 mol 238 unq 2 iso 1 dist 7.19008 7.02475 10.1756 9.12776 6.12722 13.037 numMergedOcc 0
42 mol 238 unq 2 iso 0 dist 7.67322 7.19008 9.50847 9.12776 9.75095 6.12722 numMergedOcc 0
43 mol 238 unq 2 iso 1 dist 7.19008 7.67322 9.50847 9.12776 6.12722 9.75095 numMergedOcc 0
44 mol 238 unq 3 iso 0 dist 9.68513 5.9216 4.83721 8.82351 5.99163 4.40419 numMergedOcc 0
45 mol 238 unq 3 iso 1 dist 5.9216 9.68513 4.83721 8.82351 4.40419 5.99163 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 6.77938 7.76676 6.1415 8.03219 8.90322 7.27192 numMergedOcc 0
47 mol 259 unq 0 iso 1 dist 7.76676 6.77938 6.1415 8.03219 7.27192 8.90322 numMergedOcc 0
48 mol 259 unq 1 iso 0 dist 6.77938 7.76676 6.1415 6.9899 9.2872 4.61451 numMergedOcc 0
49 mol 259 unq 1 iso 1 dist 7.76676 6.77938 6.1415 6.9899 4.61451 9.2872 numMergedOcc 0
