0 mol 10 unq 0 iso 0 dist 9.78153 8.16906 14.8787 4.84364 13.783 8.7908 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.204 7.88072 3.90342 4.83638 9.11745 9.63882 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 8.204 7.88072 3.90342 5.2103 4.62145 6.87277 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.40644 7.99434 3.85292 12.2756 11.9578 8.22812 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 9.40644 7.99434 3.85292 8.12843 7.33788 4.22002 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 9.40644 7.99434 3.85292 8.16676 9.51079 5.77855 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 9.40644 7.99434 3.85292 9.72202 9.74351 8.10774 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 9.40644 7.99434 3.85292 12.7252 7.36877 6.5241 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 5.35252 7.99434 6.44604 12.2756 13.8065 8.22812 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 5.35252 7.99434 6.44604 8.12843 8.52681 4.22002 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 5.35252 7.99434 6.44604 8.16676 10.084 5.77855 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 5.35252 7.99434 6.44604 9.72202 9.98769 8.10774 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 5.35252 7.99434 6.44604 12.7252 10.9073 6.5241 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 9.53081 5.43913 13.4515 5.39197 12.4931 8.65524 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 9.53081 5.43913 13.4515 9.53255 18.5842 8.96151 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 9.53081 5.43913 13.4515 7.75132 16.4784 9.02535 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 9.53081 8.26877 17.6258 5.39197 12.4931 8.22812 numMergedOcc 0
17 mol 48 unq 14 iso 0 dist 9.53081 8.26877 17.6258 9.53255 18.5842 4.22002 numMergedOcc 0
18 mol 48 unq 15 iso 0 dist 9.53081 8.26877 17.6258 7.75132 16.4784 5.77855 numMergedOcc 0
19 mol 48 unq 16 iso 0 dist 9.53081 8.26877 17.6258 14.2848 23.1176 8.10774 numMergedOcc 0
20 mol 48 unq 17 iso 0 dist 9.53081 8.26877 17.6258 12.4977 20.7168 6.5241 numMergedOcc 0
21 mol 48 unq 18 iso 0 dist 5.06188 8.10222 6.4561 9.57893 9.40291 8.14245 numMergedOcc 0
22 mol 48 unq 19 iso 0 dist 5.06188 8.10222 6.4561 12.6437 10.6705 6.36817 numMergedOcc 0
23 mol 48 unq 20 iso 0 dist 5.06188 8.10222 6.4561 12.0687 13.4464 8.0812 numMergedOcc 0
24 mol 48 unq 21 iso 0 dist 5.06188 8.10222 6.4561 7.88988 7.94814 4.17933 numMergedOcc 0
25 mol 48 unq 22 iso 0 dist 5.06188 8.10222 6.4561 8.00934 9.55632 5.54893 numMergedOcc 0
26 mol 63 unq 0 iso 0 dist 6.49343 7.85738 12.6017 9.28052 15.0649 8.14512 numMergedOcc 0
27 mol 63 unq 1 iso 0 dist 6.49343 7.85738 12.6017 4.44607 6.42443 9.13228 numMergedOcc 0
28 mol 76 unq 0 iso 0 dist 7.48127 5.91098 8.58474 11.6853 9.50939 7.66068 numMergedOcc 0
29 mol 76 unq 1 iso 0 dist 7.48127 5.91098 8.58474 15.0489 13.4154 9.5043 numMergedOcc 0
30 mol 76 unq 2 iso 0 dist 7.48127 5.91098 8.58474 14.2393 15.0873 8.34132 numMergedOcc 0
31 mol 78 unq 0 iso 0 dist 6.54194 9.39265 3.63624 3.74336 6.13394 9.2057 numMergedOcc 0
32 mol 78 unq 1 iso 0 dist 9.86325 6.11101 7.86077 5.72585 13.6 9.07629 numMergedOcc 0
33 mol 78 unq 2 iso 0 dist 9.86325 6.11101 7.86077 7.38398 7.50229 8.61143 numMergedOcc 0
34 mol 79 unq 0 iso 0 dist 8.64686 4.2253 9.13196 8.65653 13.3239 6.20144 numMergedOcc 0
35 mol 83 unq 0 iso 0 dist 7.2118 7.69755 4.48523 4.12785 5.13041 7.50925 numMergedOcc 0
36 mol 83 unq 1 iso 0 dist 7.2118 7.69755 4.48523 6.83349 8.57603 6.96722 numMergedOcc 0
37 mol 90 unq 0 iso 0 dist 9.06641 8.63446 6.65219 4.77556 7.01987 5.24346 numMergedOcc 0
38 mol 92 unq 0 iso 0 dist 7.70612 8.01266 4.51052 4.65353 9.62106 8.55237 numMergedOcc 0
39 mol 122 unq 0 iso 0 dist 8.9864 4.821 7.33765 5.74569 14.2264 8.565 numMergedOcc 0
40 mol 143 unq 0 iso 0 dist 5.40826 5.33772 3.66518 5.08025 6.38786 4.3855 numMergedOcc 0
41 mol 204 unq 0 iso 0 dist 9.90757 9.26192 11.1365 13.8736 17.8321 9.93489 numMergedOcc 0
42 mol 204 unq 1 iso 0 dist 9.90757 9.26192 11.1365 6.40044 14.1755 7.64057 numMergedOcc 0
43 mol 204 unq 2 iso 0 dist 6.20044 8.77524 6.42785 10.6524 12.8257 8.32259 numMergedOcc 0
44 mol 204 unq 3 iso 0 dist 6.20044 8.77524 6.42785 9.88337 13.4001 9.93489 numMergedOcc 0
45 mol 204 unq 4 iso 0 dist 8.41232 8.77524 7.66776 10.6524 13.697 8.32259 numMergedOcc 0
46 mol 204 unq 5 iso 0 dist 8.41232 8.77524 7.66776 9.88337 13.8337 9.93489 numMergedOcc 0
47 mol 214 unq 0 iso 0 dist 4.36421 9.53899 13.6384 6.49466 10.5407 7.42759 numMergedOcc 0
48 mol 225 unq 0 iso 0 dist 7.65121 7.78392 12.4933 13.4414 20.0825 9.54529 numMergedOcc 0
49 mol 230 unq 0 iso 0 dist 9.24729 8.01593 3.86973 4.45276 9.62914 9.47092 numMergedOcc 0
50 mol 256 unq 0 iso 0 dist 6.45473 6.33954 5.16057 6.51471 9.49634 5.58222 numMergedOcc 0
51 mol 266 unq 0 iso 0 dist 9.0836 6.48382 7.63149 5.79323 10.3444 6.96692 numMergedOcc 0
52 mol 266 unq 1 iso 0 dist 9.0836 6.48382 7.63149 7.52317 6.39822 8.25286 numMergedOcc 0
53 mol 266 unq 2 iso 0 dist 9.0836 6.48382 7.63149 9.52953 5.36518 9.9965 numMergedOcc 0
54 mol 266 unq 3 iso 0 dist 9.62494 6.48382 4.39553 5.79323 9.90506 6.96692 numMergedOcc 0
55 mol 266 unq 4 iso 0 dist 9.62494 6.48382 4.39553 7.52317 8.61077 8.25286 numMergedOcc 0
56 mol 266 unq 5 iso 0 dist 9.62494 6.48382 4.39553 9.52953 9.11585 9.9965 numMergedOcc 0
57 mol 268 unq 0 iso 0 dist 5.94741 7.40323 6.07203 5.39453 5.49906 9.52476 numMergedOcc 0
58 mol 277 unq 0 iso 0 dist 8.15119 4.1545 9.21484 5.11865 9.07744 7.98956 numMergedOcc 0
59 mol 277 unq 1 iso 0 dist 8.15119 4.25172 10.3506 5.11865 9.07744 5.86185 numMergedOcc 0
60 mol 284 unq 0 iso 0 dist 7.74965 8.2236 11.8933 8.4652 15.0399 5.6964 numMergedOcc 0
61 mol 285 unq 0 iso 0 dist 7.872 4.95596 9.22192 4.57431 12.2776 5.88958 numMergedOcc 0
62 mol 285 unq 1 iso 0 dist 7.872 6.3508 8.37376 4.57431 12.2776 7.78121 numMergedOcc 0
63 mol 285 unq 2 iso 0 dist 6.32984 4.95596 11.1099 4.57431 9.58965 5.88958 numMergedOcc 0
64 mol 285 unq 3 iso 0 dist 6.32984 6.3508 11.5761 4.57431 9.58965 7.78121 numMergedOcc 0
