0 mol 7 unq 0 iso 0 dist 8.88982 4.24307 9.8603 13.9585 7.10621 14.6665 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.8576 4.44694 5.51421 10.4545 8.41585 10.6104 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.80849 4.98987 6.11056 13.9888 8.86116 10.4744 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.80849 4.98987 6.11056 10.1696 8.38394 6.9756 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.00307 8.65485 8.40051 7.95074 7.57578 13.466 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 6.00307 8.65485 8.40051 10.3928 7.17969 14.4191 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 7.34549 11.0672 9.7522 4.76147 8.34347 15.0931 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 8.09068 15.3987 9.7522 6.30129 8.34347 15.0931 numMergedOcc 0
8 mol 26 unq 2 iso 0 dist 9.72289 18.4863 9.7522 5.93227 8.34347 15.0931 numMergedOcc 0
9 mol 41 unq 0 iso 0 dist 9.02927 10.7868 5.41493 14.1634 6.19529 5.09229 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 8.47617 12.345 8.38387 15.1595 8.80331 11.0096 numMergedOcc 0
11 mol 43 unq 1 iso 0 dist 8.47617 12.345 8.38387 8.14351 6.20293 11.8286 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 6.13476 10.5752 5.97635 13.1047 9.5589 10.7219 numMergedOcc 0
13 mol 54 unq 1 iso 0 dist 6.13476 10.5752 5.97635 10.0565 6.83299 6.76462 numMergedOcc 0
14 mol 54 unq 2 iso 0 dist 6.13476 10.5752 5.97635 5.77448 8.10861 13.2619 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 6.04163 4.86753 8.2377 6.34076 5.93252 4.99283 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 8.88953 3.80976 8.2377 3.92763 5.93252 4.99283 numMergedOcc 0
17 mol 75 unq 0 iso 0 dist 8.64872 10.8989 6.95595 10.4239 7.79912 12.7957 numMergedOcc 0
18 mol 75 unq 1 iso 0 dist 8.64872 10.8989 6.95595 12.0967 8.56639 10.309 numMergedOcc 0
19 mol 75 unq 2 iso 0 dist 8.64872 10.8989 6.95595 9.60759 8.59017 5.80162 numMergedOcc 0
20 mol 76 unq 0 iso 0 dist 9.32453 4.35001 6.4551 8.18176 6.97941 8.78063 numMergedOcc 0
21 mol 98 unq 0 iso 0 dist 4.31067 9.91645 5.9747 9.04817 5.08437 4.75138 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 4.31067 9.91645 5.9747 4.70157 6.48948 10.4417 numMergedOcc 0
23 mol 98 unq 2 iso 0 dist 4.31067 9.91645 5.9747 6.21302 6.10456 11.3628 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 4.31067 7.54723 4.50572 9.04817 5.08437 6.88489 numMergedOcc 0
25 mol 98 unq 4 iso 0 dist 4.31067 7.54723 4.50572 4.70157 6.48948 9.63267 numMergedOcc 0
26 mol 98 unq 5 iso 0 dist 4.31067 7.54723 4.50572 6.21302 6.10456 9.82583 numMergedOcc 0
27 mol 113 unq 0 iso 0 dist 8.29529 6.68968 8.89481 7.77295 5.86073 4.36935 numMergedOcc 0
28 mol 120 unq 0 iso 0 dist 8.20009 11.9512 7.04864 10.7527 8.75408 4.5543 numMergedOcc 0
29 mol 120 unq 1 iso 0 dist 8.20009 11.9512 7.04864 5.6257 6.44653 6.81949 numMergedOcc 0
30 mol 120 unq 2 iso 0 dist 8.14799 10.1556 7.04864 9.8469 8.75408 4.5543 numMergedOcc 0
31 mol 120 unq 3 iso 0 dist 8.14799 10.1556 7.04864 5.0256 6.44653 6.81949 numMergedOcc 0
32 mol 122 unq 0 iso 0 dist 8.054 4.79314 6.78949 9.57532 8.37808 7.54208 numMergedOcc 0
33 mol 122 unq 1 iso 0 dist 8.054 5.45124 9.40018 9.57532 8.37808 11.0216 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 6.29975 7.49664 9.3894 4.90674 6.5107 4.84607 numMergedOcc 0
35 mol 133 unq 1 iso 0 dist 6.29975 7.49664 9.3894 5.78974 9.52634 13.0836 numMergedOcc 0
36 mol 133 unq 2 iso 0 dist 8.94909 6.45157 5.86531 8.76089 7.11802 6.26797 numMergedOcc 0
37 mol 133 unq 3 iso 0 dist 8.94909 6.45157 5.86531 6.80087 8.00618 9.73435 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 9.0847 11.6766 8.07256 14.8573 8.56324 10.4039 numMergedOcc 0
39 mol 152 unq 1 iso 0 dist 9.0847 11.6766 8.07256 8.41711 6.70283 11.1874 numMergedOcc 0
40 mol 152 unq 2 iso 0 dist 9.0847 11.6766 8.07256 4.82496 7.16148 8.36099 numMergedOcc 0
41 mol 196 unq 0 iso 0 dist 8.69629 7.06113 6.87731 4.76275 9.62191 4.59462 numMergedOcc 0
42 mol 206 unq 0 iso 0 dist 7.94694 16.3384 9.36079 5.1071 7.7366 13.6173 numMergedOcc 0
43 mol 206 unq 1 iso 0 dist 7.94694 13.2408 7.42904 5.1071 7.7366 9.96254 numMergedOcc 0
44 mol 210 unq 0 iso 0 dist 7.86668 4.04112 8.62103 5.06314 6.18308 3.84723 numMergedOcc 0
45 mol 224 unq 0 iso 0 dist 8.47457 10.5366 8.46129 5.15333 6.65832 6.31508 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 8.47457 10.5366 8.46129 8.1404 6.60589 5.72088 numMergedOcc 0
47 mol 224 unq 2 iso 0 dist 8.47457 10.5366 8.46129 15.1783 9.16166 6.51315 numMergedOcc 0
48 mol 234 unq 0 iso 0 dist 8.9413 16.6823 7.86368 12.4455 9.45496 12.0816 numMergedOcc 0
49 mol 234 unq 1 iso 0 dist 8.9413 16.6823 7.86368 14.0876 6.7625 6.94762 numMergedOcc 0
50 mol 234 unq 2 iso 0 dist 4.91961 5.55026 7.86368 11.5103 9.45496 12.0816 numMergedOcc 0
51 mol 234 unq 3 iso 0 dist 4.91961 5.55026 7.86368 4.98993 6.7625 6.94762 numMergedOcc 0
52 mol 235 unq 0 iso 0 dist 8.84872 7.44501 9.11256 4.28841 5.4638 6.84447 numMergedOcc 0
53 mol 235 unq 1 iso 0 dist 8.84872 10.7196 7.08539 4.28841 5.4638 7.38431 numMergedOcc 0
54 mol 238 unq 0 iso 0 dist 8.39522 5.58605 6.24928 4.88998 6.57393 5.33567 numMergedOcc 0
55 mol 241 unq 0 iso 0 dist 8.18588 5.06075 8.40773 10.2076 7.4631 6.72492 numMergedOcc 0
56 mol 241 unq 1 iso 0 dist 8.18588 13.1806 9.18476 10.2076 7.4631 9.87799 numMergedOcc 0
57 mol 253 unq 0 iso 0 dist 9.86979 9.99077 5.89502 7.79167 9.02271 9.25001 numMergedOcc 0
58 mol 253 unq 1 iso 0 dist 9.86979 11.0003 7.15815 7.79167 9.02271 4.93871 numMergedOcc 0
59 mol 259 unq 0 iso 0 dist 5.29682 6.00285 5.90645 5.48552 8.53687 4.62072 numMergedOcc 0
60 mol 259 unq 1 iso 0 dist 5.29682 6.00285 5.90645 5.56656 8.13497 10.4985 numMergedOcc 0
61 mol 277 unq 0 iso 0 dist 9.64889 14.9226 9.29635 15.4648 9.7748 10.8075 numMergedOcc 0
62 mol 279 unq 0 iso 0 dist 7.63115 9.73504 7.74162 5.82892 9.70696 9.5773 numMergedOcc 0
