0 mol 14 unq 0 iso 0 dist 9.42387 7.59564 8.47263 5.91419 9.82883 12.1635 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 9.42387 8.10957 11.5533 5.91419 9.82883 11.6604 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.04019 7.44828 14.7604 6.90464 8.0346 13.7522 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.36738 7.79266 4.7203 11.8377 8.46741 13.1446 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 5.35252 9.40644 5.43494 10.6637 9.79657 11.7677 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 8.16246 9.48823 5.58256 10.4221 6.29755 7.4038 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 9.48823 8.16246 5.58256 10.4221 7.4038 6.29755 numMergedOcc 0
7 mol 55 unq 0 iso 0 dist 9.24055 5.24742 5.25318 12.3514 9.34552 12.2917 numMergedOcc 0
8 mol 55 unq 1 iso 0 dist 9.66898 9.29433 5.25318 7.15478 9.34552 12.2917 numMergedOcc 0
9 mol 64 unq 0 iso 0 dist 8.52643 9.75299 4.78627 7.59945 5.45684 7.66372 numMergedOcc 0
10 mol 64 unq 1 iso 0 dist 8.52643 9.75299 4.78627 13.3239 7.76644 9.99743 numMergedOcc 0
11 mol 64 unq 2 iso 0 dist 5.41357 9.30042 4.78627 5.65551 5.45684 7.66372 numMergedOcc 0
12 mol 64 unq 3 iso 0 dist 5.41357 9.30042 4.78627 9.81422 7.76644 9.99743 numMergedOcc 0
13 mol 64 unq 4 iso 0 dist 9.75299 8.52643 4.78627 7.59945 7.66372 5.45684 numMergedOcc 0
14 mol 64 unq 5 iso 0 dist 9.75299 8.52643 4.78627 13.3239 9.99743 7.76644 numMergedOcc 0
15 mol 64 unq 6 iso 0 dist 9.30042 5.41357 4.78627 5.65551 7.66372 5.45684 numMergedOcc 0
16 mol 64 unq 7 iso 0 dist 9.30042 5.41357 4.78627 9.81422 9.99743 7.76644 numMergedOcc 0
17 mol 67 unq 0 iso 0 dist 7.51967 6.04303 4.29326 6.72978 9.25638 8.01856 numMergedOcc 0
18 mol 67 unq 1 iso 0 dist 7.51967 7.15248 11.9277 6.72978 9.25638 13.191 numMergedOcc 0
19 mol 67 unq 2 iso 0 dist 6.04303 7.51967 4.29326 6.72978 8.01856 9.25638 numMergedOcc 0
20 mol 67 unq 3 iso 0 dist 6.04303 7.15248 9.42543 6.72978 8.01856 13.191 numMergedOcc 0
21 mol 67 unq 4 iso 0 dist 6.12267 8.43162 9.42543 6.39609 8.01856 13.191 numMergedOcc 0
22 mol 67 unq 5 iso 0 dist 8.27009 5.80736 8.61446 6.22963 8.01856 11.1966 numMergedOcc 0
23 mol 67 unq 6 iso 0 dist 7.15248 7.51967 11.9277 12.8718 9.8048 17.7916 numMergedOcc 0
24 mol 67 unq 7 iso 0 dist 7.15248 6.04303 9.42543 12.8718 9.8048 13.7104 numMergedOcc 0
25 mol 67 unq 8 iso 0 dist 8.43162 6.12267 9.42543 9.08666 9.8048 13.7104 numMergedOcc 0
26 mol 73 unq 0 iso 0 dist 7.48556 9.47045 8.96403 15.0455 8.08507 14.4663 numMergedOcc 0
27 mol 73 unq 1 iso 0 dist 7.48556 8.68218 7.99821 15.0455 8.08507 14.7716 numMergedOcc 0
28 mol 75 unq 0 iso 0 dist 4.76466 8.25597 4.41154 7.91223 7.93145 12.0932 numMergedOcc 0
29 mol 75 unq 1 iso 0 dist 4.76466 8.67172 5.23438 7.91223 7.93145 10.3439 numMergedOcc 0
30 mol 87 unq 0 iso 0 dist 6.22441 5.91543 5.78586 4.54351 7.35921 9.83067 numMergedOcc 0
31 mol 87 unq 1 iso 0 dist 5.91543 6.22441 5.78586 6.17843 9.78949 9.68492 numMergedOcc 0
32 mol 104 unq 0 iso 0 dist 5.71279 6.18499 4.36714 5.78815 7.32917 10.2478 numMergedOcc 0
33 mol 104 unq 1 iso 0 dist 5.71279 6.18499 4.36714 10.2942 8.84844 12.8634 numMergedOcc 0
34 mol 140 unq 0 iso 0 dist 7.60956 9.9171 5.17212 5.00766 6.55217 7.21686 numMergedOcc 0
35 mol 140 unq 1 iso 0 dist 9.9171 7.60956 5.17212 5.00766 7.21686 6.55217 numMergedOcc 0
36 mol 174 unq 0 iso 0 dist 8.16228 8.57467 5.33032 5.38744 9.56869 7.37131 numMergedOcc 0
37 mol 174 unq 1 iso 0 dist 8.57467 8.16228 5.33032 5.38744 7.37131 9.56869 numMergedOcc 0
38 mol 183 unq 0 iso 0 dist 8.97652 8.29364 5.77399 4.92164 9.84649 11.5589 numMergedOcc 0
39 mol 186 unq 0 iso 0 dist 6.72718 8.72949 10.4327 11.315 9.60838 18.9497 numMergedOcc 0
40 mol 192 unq 0 iso 0 dist 6.2016 8.3453 6.63296 6.16078 5.83093 11.2722 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 4.81837 6.43519 9.98031 6.25023 7.25362 12.381 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 6.43519 4.81837 9.98031 5.07259 8.27071 9.27861 numMergedOcc 0
43 mol 220 unq 0 iso 0 dist 5.25149 8.6368 11.0459 8.17619 9.57625 8.08702 numMergedOcc 0
44 mol 220 unq 1 iso 0 dist 8.6368 5.25149 11.0459 7.36665 9.984 12.5698 numMergedOcc 0
45 mol 220 unq 2 iso 0 dist 8.6368 5.25149 11.0459 8.17619 8.08702 9.57625 numMergedOcc 0
46 mol 223 unq 0 iso 0 dist 6.97426 8.87456 4.71901 4.68566 7.96628 7.76053 numMergedOcc 0
47 mol 223 unq 1 iso 0 dist 8.87456 6.97426 4.71901 4.68566 7.76053 7.96628 numMergedOcc 0
48 mol 223 unq 2 iso 0 dist 8.87456 6.97426 4.71901 11.1044 9.65728 12.8908 numMergedOcc 0
49 mol 224 unq 0 iso 0 dist 7.31608 7.96226 5.19836 3.92881 8.96263 7.35677 numMergedOcc 0
50 mol 224 unq 1 iso 0 dist 7.96226 7.31608 5.19836 3.92881 7.35677 8.96263 numMergedOcc 0
51 mol 229 unq 0 iso 0 dist 6.28935 8.4208 5.50813 6.40216 9.42877 12.8298 numMergedOcc 0
52 mol 239 unq 0 iso 0 dist 9.01071 8.86185 15.9311 13.3781 7.449 20.3692 numMergedOcc 0
53 mol 239 unq 1 iso 0 dist 9.01071 8.86185 15.9311 14.2324 8.98789 22.4527 numMergedOcc 0
54 mol 239 unq 2 iso 0 dist 8.86185 9.01071 15.9311 10.1043 7.80073 18.9779 numMergedOcc 0
55 mol 243 unq 0 iso 0 dist 4.64178 8.78924 4.56434 7.70076 8.1195 11.028 numMergedOcc 0
56 mol 243 unq 1 iso 0 dist 9.16988 7.70472 4.56434 16.6703 8.1195 11.028 numMergedOcc 0
57 mol 244 unq 0 iso 0 dist 7.79787 7.43391 12.5222 8.64762 6.2667 14.0376 numMergedOcc 0
58 mol 249 unq 0 iso 0 dist 3.67935 8.00386 6.79958 6.13333 5.70674 10.464 numMergedOcc 0
59 mol 258 unq 0 iso 0 dist 8.10903 7.25618 5.31174 5.79358 8.73425 9.65711 numMergedOcc 0
60 mol 258 unq 1 iso 0 dist 7.25618 8.10903 5.31174 5.79358 9.65711 8.73425 numMergedOcc 0
61 mol 261 unq 0 iso 0 dist 7.58385 6.0437 5.29945 6.29331 8.25759 6.99444 numMergedOcc 0
62 mol 261 unq 1 iso 0 dist 6.0437 7.58385 5.29945 6.8395 9.38192 13.3884 numMergedOcc 0
63 mol 261 unq 2 iso 0 dist 6.0437 7.58385 5.29945 6.29331 6.99444 8.25759 numMergedOcc 0
64 mol 261 unq 3 iso 0 dist 4.85199 9.72159 10.4196 5.03102 9.38192 12.9617 numMergedOcc 0
65 mol 261 unq 4 iso 0 dist 4.85199 9.72159 10.4196 6.40309 6.99444 11.0021 numMergedOcc 0
66 mol 261 unq 5 iso 0 dist 9.13604 6.89731 10.4196 9.37836 9.38192 12.9617 numMergedOcc 0
67 mol 261 unq 6 iso 0 dist 9.13604 6.89731 10.4196 5.91745 6.99444 11.0021 numMergedOcc 0
68 mol 261 unq 7 iso 0 dist 9.13604 9.85607 10.8346 9.37836 9.38192 16.7353 numMergedOcc 0
69 mol 261 unq 8 iso 0 dist 9.13604 9.85607 10.8346 5.91745 6.99444 11.436 numMergedOcc 0
70 mol 273 unq 0 iso 0 dist 5.78262 7.6489 8.60201 7.01631 7.84151 13.8768 numMergedOcc 0
71 mol 273 unq 1 iso 0 dist 5.78262 7.6489 8.60201 7.05181 7.346 10.1173 numMergedOcc 0
72 mol 281 unq 0 iso 0 dist 4.75349 8.94206 8.81755 5.50235 6.47753 12.0983 numMergedOcc 0
73 mol 281 unq 1 iso 0 dist 4.75349 8.94206 8.81755 9.84433 9.69744 15.5202 numMergedOcc 0
74 mol 282 unq 0 iso 0 dist 8.54984 6.04225 5.72971 6.0405 8.30313 6.51248 numMergedOcc 0
75 mol 282 unq 1 iso 0 dist 6.04225 8.54984 5.72971 6.0405 6.51248 8.30313 numMergedOcc 0
76 mol 282 unq 2 iso 0 dist 5.00258 9.98886 10.6828 6.38947 6.51248 11.7298 numMergedOcc 0
77 mol 282 unq 3 iso 0 dist 8.22117 6.81887 10.6828 5.98603 6.51248 11.7298 numMergedOcc 0
78 mol 287 unq 0 iso 0 dist 5.15923 8.40726 7.06161 11.7624 9.30394 14.9702 numMergedOcc 0
79 mol 287 unq 1 iso 0 dist 5.15923 8.40726 7.06161 5.58788 5.84467 11.5539 numMergedOcc 0
80 mol 287 unq 2 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 numMergedOcc 0
81 mol 287 unq 3 iso 0 dist 7.14859 6.96774 7.11169 14.0575 8.5458 13.9195 numMergedOcc 0
82 mol 287 unq 4 iso 0 dist 7.14859 6.96774 7.11169 10.6005 8.56533 11.3395 numMergedOcc 0
83 mol 288 unq 0 iso 0 dist 5.15923 8.40726 7.06161 11.7624 9.30394 14.9702 numMergedOcc 0
84 mol 288 unq 1 iso 0 dist 5.15923 8.40726 7.06161 5.58788 5.84467 11.5539 numMergedOcc 0
85 mol 288 unq 2 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 numMergedOcc 0
86 mol 288 unq 3 iso 0 dist 7.14859 6.96774 7.11169 14.0575 8.5458 13.9195 numMergedOcc 0
87 mol 288 unq 4 iso 0 dist 7.14859 6.96774 7.11169 10.6005 8.56533 11.3395 numMergedOcc 0
88 mol 289 unq 0 iso 0 dist 5.15923 8.40726 7.06161 11.7624 9.30394 14.9702 numMergedOcc 0
89 mol 289 unq 1 iso 0 dist 5.15923 8.40726 7.06161 5.58788 5.84467 11.5539 numMergedOcc 0
90 mol 289 unq 2 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 numMergedOcc 0
91 mol 289 unq 3 iso 0 dist 7.14859 6.96774 7.11169 14.0575 8.5458 13.9195 numMergedOcc 0
92 mol 289 unq 4 iso 0 dist 7.14859 6.96774 7.11169 10.6005 8.56533 11.3395 numMergedOcc 0
