0 mol 30 unq 0 iso 0 dist 8.204 7.88072 3.90342 4.5844 7.13565 8.67216 4.83638 9.11745 9.63882 3.08756 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 8.204 7.88072 3.90342 4.5844 7.13565 8.67216 5.2103 4.62145 6.87277 3.30447 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.40644 7.99434 3.85292 5.76698 10.4843 7.78689 12.2756 11.9578 8.22812 9.26377 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.40644 7.99434 3.85292 5.76698 10.4843 7.78689 8.12843 7.33788 4.22002 4.88527 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 9.40644 7.99434 3.85292 5.76698 10.4843 7.78689 8.16676 9.51079 5.77855 4.76279 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 9.40644 7.99434 3.85292 5.76698 10.4843 7.78689 9.72202 9.74351 8.10774 5.56357 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 9.40644 7.99434 3.85292 5.76698 10.4843 7.78689 12.7252 7.36877 6.5241 9.94951 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 5.35252 7.99434 6.44604 5.76698 8.8645 7.78689 12.2756 13.8065 8.22812 9.26377 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 5.35252 7.99434 6.44604 5.76698 8.8645 7.78689 8.12843 8.52681 4.22002 4.88527 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 5.35252 7.99434 6.44604 5.76698 8.8645 7.78689 8.16676 10.084 5.77855 4.76279 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 5.35252 7.99434 6.44604 5.76698 8.8645 7.78689 9.72202 9.98769 8.10774 5.56357 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 5.35252 7.99434 6.44604 5.76698 8.8645 7.78689 12.7252 10.9073 6.5241 9.94951 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 9.53081 8.26877 17.6258 12.0497 20.92 7.78689 5.39197 12.4931 8.22812 9.26377 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 9.53081 8.26877 17.6258 12.0497 20.92 7.78689 9.53255 18.5842 4.22002 4.88527 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 9.53081 8.26877 17.6258 12.0497 20.92 7.78689 7.75132 16.4784 5.77855 4.76279 numMergedOcc 0
15 mol 48 unq 13 iso 0 dist 9.53081 8.26877 17.6258 12.0497 20.92 7.78689 14.2848 23.1176 8.10774 5.56357 numMergedOcc 0
16 mol 48 unq 14 iso 0 dist 9.53081 8.26877 17.6258 12.0497 20.92 7.78689 12.4977 20.7168 6.5241 9.94951 numMergedOcc 0
17 mol 48 unq 15 iso 0 dist 5.06188 8.10222 6.4561 5.75684 8.3491 7.70645 9.57893 9.40291 8.14245 5.43784 numMergedOcc 0
18 mol 48 unq 16 iso 0 dist 5.06188 8.10222 6.4561 5.75684 8.3491 7.70645 12.6437 10.6705 6.36817 9.7018 numMergedOcc 0
19 mol 48 unq 17 iso 0 dist 5.06188 8.10222 6.4561 5.75684 8.3491 7.70645 12.0687 13.4464 8.0812 8.95384 numMergedOcc 0
20 mol 48 unq 18 iso 0 dist 5.06188 8.10222 6.4561 5.75684 8.3491 7.70645 7.88988 7.94814 4.17933 4.57947 numMergedOcc 0
21 mol 48 unq 19 iso 0 dist 5.06188 8.10222 6.4561 5.75684 8.3491 7.70645 8.00934 9.55632 5.54893 4.60843 numMergedOcc 0
22 mol 63 unq 0 iso 0 dist 6.49343 7.85738 12.6017 5.82517 10.9406 8.78414 9.28052 15.0649 8.14512 4.73277 numMergedOcc 0
23 mol 63 unq 1 iso 0 dist 6.49343 7.85738 12.6017 5.82517 10.9406 8.78414 4.44607 6.42443 9.13228 10.1907 numMergedOcc 0
24 mol 76 unq 0 iso 0 dist 7.48127 5.91098 8.58474 13.363 16.1719 9.57759 11.6853 9.50939 7.66068 9.50354 numMergedOcc 0
25 mol 76 unq 1 iso 0 dist 7.48127 5.91098 8.58474 13.363 16.1719 9.57759 15.0489 13.4154 9.5043 12.0331 numMergedOcc 0
26 mol 76 unq 2 iso 0 dist 7.48127 5.91098 8.58474 13.363 16.1719 9.57759 14.2393 15.0873 8.34132 9.2434 numMergedOcc 0
27 mol 78 unq 0 iso 0 dist 9.86325 6.11101 7.86077 7.35151 11.2839 9.38837 5.72585 13.6 9.07629 4.83106 numMergedOcc 0
28 mol 78 unq 1 iso 0 dist 9.86325 6.11101 7.86077 7.35151 11.2839 9.38837 7.38398 7.50229 8.61143 4.315 numMergedOcc 0
29 mol 78 unq 2 iso 0 dist 9.86325 6.11101 7.86077 4.76634 10.4541 9.80913 5.72585 13.6 9.07629 9.40741 numMergedOcc 0
30 mol 78 unq 3 iso 0 dist 9.86325 6.11101 7.86077 4.76634 10.4541 9.80913 7.38398 7.50229 8.61143 9.00868 numMergedOcc 0
31 mol 79 unq 0 iso 0 dist 8.64686 4.2253 9.13196 5.21981 6.30814 4.74254 8.65653 13.3239 6.20144 7.19532 numMergedOcc 0
32 mol 83 unq 0 iso 0 dist 7.2118 7.69755 4.48523 4.93836 5.25361 5.35861 4.12785 5.13041 7.50925 3.62753 numMergedOcc 0
33 mol 83 unq 1 iso 0 dist 7.2118 7.69755 4.48523 4.93836 5.25361 5.35861 6.83349 8.57603 6.96722 3.65203 numMergedOcc 0
34 mol 90 unq 0 iso 0 dist 9.06641 8.63446 6.65219 6.55381 12.0429 7.62463 4.77556 7.01987 5.24346 5.4118 numMergedOcc 0
35 mol 143 unq 0 iso 0 dist 5.40826 5.33772 3.66518 7.11802 9.78214 6.60366 5.08025 6.38786 4.3855 5.94217 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 9.90757 9.26192 11.1365 9.9686 16.5446 7.98864 13.8736 17.8321 9.93489 5.80328 numMergedOcc 0
37 mol 204 unq 1 iso 0 dist 9.90757 9.26192 11.1365 9.9686 16.5446 7.98864 6.40044 14.1755 7.64057 3.68217 numMergedOcc 0
38 mol 204 unq 2 iso 0 dist 6.20044 8.77524 6.42785 5.9943 9.50364 7.33774 10.6524 12.8257 8.32259 4.7839 numMergedOcc 0
39 mol 204 unq 3 iso 0 dist 6.20044 8.77524 6.42785 5.9943 9.50364 7.33774 9.88337 13.4001 9.93489 4.05102 numMergedOcc 0
40 mol 204 unq 4 iso 0 dist 8.41232 8.77524 7.66776 5.9943 10.5885 7.33774 10.6524 13.697 8.32259 4.7839 numMergedOcc 0
41 mol 204 unq 5 iso 0 dist 8.41232 8.77524 7.66776 5.9943 10.5885 7.33774 9.88337 13.8337 9.93489 4.05102 numMergedOcc 0
42 mol 214 unq 0 iso 0 dist 4.36421 9.53899 13.6384 10.0389 14.1246 7.66702 6.49466 10.5407 7.42759 3.64285 numMergedOcc 0
43 mol 266 unq 0 iso 0 dist 9.0836 6.48382 7.63149 7.90149 8.9221 8.20376 5.79323 10.3444 6.96692 3.68488 numMergedOcc 0
44 mol 266 unq 1 iso 0 dist 9.0836 6.48382 7.63149 7.90149 8.9221 8.20376 7.52317 6.39822 8.25286 3.14784 numMergedOcc 0
45 mol 266 unq 2 iso 0 dist 9.0836 6.48382 7.63149 7.90149 8.9221 8.20376 9.52953 5.36518 9.9965 5.95721 numMergedOcc 0
46 mol 266 unq 3 iso 0 dist 9.62494 6.48382 4.39553 7.90149 9.51145 8.20376 5.79323 9.90506 6.96692 3.68488 numMergedOcc 0
47 mol 266 unq 4 iso 0 dist 9.62494 6.48382 4.39553 7.90149 9.51145 8.20376 7.52317 8.61077 8.25286 3.14784 numMergedOcc 0
48 mol 266 unq 5 iso 0 dist 9.62494 6.48382 4.39553 7.90149 9.51145 8.20376 9.52953 9.11585 9.9965 5.95721 numMergedOcc 0
49 mol 277 unq 0 iso 0 dist 8.15119 4.1545 9.21484 6.65084 6.42951 5.13533 5.11865 9.07744 7.98956 10.5214 numMergedOcc 0
50 mol 285 unq 0 iso 0 dist 7.872 4.95596 9.22192 5.62841 12.1144 4.27826 4.57431 12.2776 5.88958 3.14843 numMergedOcc 0
51 mol 285 unq 1 iso 0 dist 7.872 6.3508 8.37376 5.62841 12.1144 5.82074 4.57431 12.2776 7.78121 3.14843 numMergedOcc 0
52 mol 285 unq 2 iso 0 dist 6.32984 4.95596 11.1099 5.62841 11.6344 4.27826 4.57431 9.58965 5.88958 3.14843 numMergedOcc 0
53 mol 285 unq 3 iso 0 dist 6.32984 6.3508 11.5761 5.62841 11.6344 5.82074 4.57431 9.58965 7.78121 3.14843 numMergedOcc 0
