0 mol 0 unq 0 iso 0 dist 6.94181 5.47921 7.15528 12.4868 13.3337 7.37981 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.94181 5.47921 7.15528 10.9707 6.83587 7.19621 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 7.32392 15.5277 9.60499 19.9982 13.823 8.23909 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 7.32392 15.5277 9.60499 11.5036 5.38502 6.72215 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 7.15434 11.2706 7.10621 12.9667 6.09254 7.21217 numMergedOcc 0
5 mol 14 unq 0 iso 0 dist 6.89209 5.49061 6.38364 11.6708 9.18933 8.73627 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 8.4361 5.39064 4.86568 7.65729 5.64581 6.29703 numMergedOcc 0
7 mol 16 unq 1 iso 0 dist 6.28033 5.40044 4.7319 7.72142 5.59769 8.47315 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 7.53564 10.323 9.74445 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 6.54183 5.65405 8.10861 10.4186 12.4254 6.59893 numMergedOcc 0
10 mol 54 unq 1 iso 0 dist 6.54183 5.65405 8.10861 6.10175 10.1356 5.59773 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 7.84699 5.2774 6.89722 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 8.40844 5.44275 7.26679 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 8.16299 10.3774 8.70481 12.1654 13.9156 6.89722 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 8.16299 10.3774 8.70481 7.02351 11.2674 7.26679 numMergedOcc 0
15 mol 73 unq 4 iso 0 dist 8.27015 12.6626 8.70481 15.154 13.9156 6.89722 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 8.27015 12.6626 8.70481 13.9009 11.2674 7.26679 numMergedOcc 0
17 mol 102 unq 0 iso 0 dist 9.84673 5.09542 7.36792 7.73836 6.42572 9.01767 numMergedOcc 0
18 mol 102 unq 1 iso 0 dist 9.84673 5.09542 7.36792 10.8539 5.54551 9.80678 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 6.04412 5.24229 4.99221 9.69719 5.889 6.86946 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 6.55511 5.47689 5.11551 10.999 5.39296 6.7225 numMergedOcc 0
21 mol 117 unq 0 iso 0 dist 8.81172 5.34484 9.84395 5.24519 6.29427 7.70533 numMergedOcc 0
22 mol 117 unq 1 iso 0 dist 7.0318 5.21051 7.90328 8.30003 10.4589 9.85576 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 13.776 14.0677 9.42766 numMergedOcc 0
24 mol 126 unq 0 iso 0 dist 6.24392 5.50061 6.06638 9.40608 7.01529 9.54928 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 9.79004 7.33132 8.22656 14.2446 15.4455 9.4473 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 8.43069 7.33132 6.82262 14.2446 11.1611 9.4473 numMergedOcc 0
27 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 9.5355 13.1936 7.57458 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 6.67598 5.0966 7.30021 numMergedOcc 0
29 mol 156 unq 1 iso 0 dist 7.11647 5.59399 7.66148 8.79185 5.70205 6.71202 numMergedOcc 0
30 mol 156 unq 2 iso 0 dist 7.11647 5.66289 8.94056 6.67598 5.75141 7.30021 numMergedOcc 0
31 mol 156 unq 3 iso 0 dist 7.98018 4.68187 9.83699 11.5769 12.865 7.30021 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 8.90247 14.0828 8.03334 17.8457 9.60754 7.44191 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 8.90247 14.0828 8.03334 18.32 11.1879 6.00053 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 6.21273 5.1021 9.23153 8.58709 4.90657 9.8711 numMergedOcc 0
35 mol 222 unq 0 iso 0 dist 8.7419 5.01062 6.00706 7.10689 8.81265 8.7347 numMergedOcc 0
36 mol 222 unq 1 iso 0 dist 8.5834 5.01062 7.54212 7.10689 4.28891 8.7347 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 9.73411 14.1073 8.95269 18.7994 14.2632 6.56437 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 9.73411 14.1073 8.95269 19.6107 15.0038 6.23882 numMergedOcc 0
39 mol 224 unq 2 iso 0 dist 9.73411 14.1073 8.95269 18.4968 9.59595 9.53131 numMergedOcc 0
40 mol 224 unq 3 iso 0 dist 9.73411 14.1073 8.95269 15.0577 5.63485 9.34636 numMergedOcc 0
41 mol 224 unq 4 iso 0 dist 9.73411 9.81806 6.57273 15.0577 5.63485 9.79616 numMergedOcc 0
42 mol 224 unq 5 iso 0 dist 9.73411 5.99647 5.78342 13.2758 4.8786 9.29703 numMergedOcc 0
43 mol 224 unq 6 iso 0 dist 7.75485 5.99647 5.81334 13.2758 6.38066 9.29703 numMergedOcc 0
44 mol 224 unq 7 iso 0 dist 7.07564 11.8217 8.95269 18.3068 14.2632 6.56437 numMergedOcc 0
45 mol 224 unq 8 iso 0 dist 7.07564 11.8217 8.95269 16.4902 15.0038 6.23882 numMergedOcc 0
46 mol 224 unq 9 iso 0 dist 7.07564 11.8217 8.95269 14.6367 9.59595 9.53131 numMergedOcc 0
47 mol 224 unq 10 iso 0 dist 7.07564 11.8217 8.95269 7.7163 5.63485 9.34636 numMergedOcc 0
48 mol 224 unq 11 iso 0 dist 7.07564 10.8463 6.57273 7.7163 5.63485 9.79616 numMergedOcc 0
49 mol 224 unq 12 iso 0 dist 7.07564 5.44863 5.78342 9.2 4.8786 9.29703 numMergedOcc 0
50 mol 224 unq 13 iso 0 dist 9.11052 5.44863 5.81334 9.2 6.38066 9.29703 numMergedOcc 0
51 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 12.3036 14.9329 9.17826 numMergedOcc 0
52 mol 227 unq 1 iso 0 dist 9.60159 6.38287 7.09863 11.4993 7.69739 9.64299 numMergedOcc 0
53 mol 227 unq 2 iso 0 dist 7.71761 5.841 7.55216 7.99145 11.4528 9.17826 numMergedOcc 0
54 mol 230 unq 0 iso 0 dist 5.62804 6.33989 6.7547 5.00735 7.07028 8.43766 numMergedOcc 0
55 mol 238 unq 0 iso 0 dist 6.06422 5.33697 6.57393 14.9437 13.477 9.75174 numMergedOcc 0
56 mol 239 unq 0 iso 0 dist 6.83046 4.77446 6.16342 4.21935 5.29737 6.37342 numMergedOcc 0
57 mol 252 unq 0 iso 0 dist 7.93609 9.76823 8.33025 16.5277 16.5881 9.73021 numMergedOcc 0
58 mol 258 unq 0 iso 0 dist 8.44862 10.4505 6.97229 14.9652 9.49027 5.81927 numMergedOcc 0
59 mol 258 unq 1 iso 0 dist 8.21585 5.13233 6.42289 6.59521 9.22664 8.58088 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 5.75874 5.20592 8.53687 9.16548 7.55268 6.77279 numMergedOcc 0
61 mol 261 unq 0 iso 0 dist 8.17205 10.3933 8.02547 14.4848 10.5691 9.62828 numMergedOcc 0
62 mol 274 unq 0 iso 0 dist 8.78883 7.48637 9.10818 12.136 6.57235 7.80446 numMergedOcc 0
63 mol 274 unq 1 iso 0 dist 8.78883 7.48637 9.10818 5.68643 4.97216 9.91395 numMergedOcc 0
64 mol 276 unq 0 iso 0 dist 8.79189 6.33662 6.87396 12.2138 8.86096 9.05218 numMergedOcc 0
65 mol 280 unq 0 iso 0 dist 8.80588 5.80223 6.0664 9.9227 4.95798 8.85762 numMergedOcc 0
