REMARK Name = BDB043344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.341 -1.229 -1.394 0.00 0.00 +0.205 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.749 -1.274 -0.306 0.00 0.00 +0.242 C ATOM 3 N LIG 1 -1.934 -0.647 -0.634 0.00 0.00 -0.308 N ATOM 4 H LIG 1 -2.116 -0.454 -1.612 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -0.582 -1.798 0.794 0.00 0.00 -0.273 OA BRANCH 3 6 ATOM 6 C LIG 1 -3.067 -0.511 0.310 0.00 0.00 +0.104 C BRANCH 6 7 ATOM 7 C LIG 1 -3.798 -1.894 0.467 0.00 0.00 +0.163 C BRANCH 7 8 ATOM 8 O LIG 1 -3.011 -2.736 1.348 0.00 0.00 -0.387 OA ATOM 9 H LIG 1 -2.062 -2.508 1.233 0.00 0.00 +0.210 HD ENDBRANCH 7 8 BRANCH 7 10 ATOM 10 C LIG 1 -5.217 -1.933 1.090 0.00 0.00 +0.145 C BRANCH 10 11 ATOM 11 O LIG 1 -5.276 -1.081 2.233 0.00 0.00 -0.389 OA ATOM 12 H LIG 1 -4.581 -1.412 2.837 0.00 0.00 +0.210 HD ENDBRANCH 10 11 BRANCH 10 13 ATOM 13 C LIG 1 -6.356 -1.618 0.109 0.00 0.00 +0.037 C BRANCH 13 14 ATOM 14 C LIG 1 -7.770 -1.690 0.726 0.00 0.00 -0.015 C ATOM 15 C LIG 1 -8.812 -1.284 -0.321 0.00 0.00 +0.007 C ATOM 16 C LIG 1 -8.107 -3.080 1.269 0.00 0.00 +0.007 C ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 7 10 ENDBRANCH 6 7 BRANCH 6 17 ATOM 17 C LIG 1 -3.969 0.665 -0.122 0.00 0.00 +0.028 C BRANCH 17 18 ATOM 18 C LIG 1 -3.289 2.061 -0.126 0.00 0.00 -0.009 C ATOM 19 C LIG 1 -2.412 2.276 -1.377 0.00 0.00 +0.003 C ATOM 20 C LIG 1 -2.340 3.739 -1.798 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -3.720 4.275 -2.177 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -4.848 3.684 -1.330 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -4.343 3.186 0.019 0.00 0.00 +0.003 C ENDBRANCH 17 18 ENDBRANCH 6 17 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 24 ATOM 24 O LIG 1 1.519 -0.579 -0.905 0.00 0.00 -0.355 OA BRANCH 24 25 ATOM 25 C LIG 1 1.490 0.843 -0.897 0.00 0.00 +0.209 C BRANCH 25 26 ATOM 26 C LIG 1 2.735 1.575 -1.476 0.00 0.00 +0.245 C ATOM 27 N LIG 1 4.001 1.012 -1.377 0.00 0.00 -0.299 N ATOM 28 C LIG 1 4.264 -0.367 -0.964 0.00 0.00 +0.108 C ATOM 29 C LIG 1 5.755 -0.689 -0.840 0.00 0.00 +0.022 C ATOM 30 C LIG 1 6.483 0.445 -0.108 0.00 0.00 -0.006 C ATOM 31 C LIG 1 6.297 1.779 -0.860 0.00 0.00 +0.022 C ATOM 32 C LIG 1 5.150 1.758 -1.875 0.00 0.00 +0.108 C ATOM 33 O LIG 1 2.568 2.692 -1.986 0.00 0.00 -0.273 OA BRANCH 30 34 ATOM 34 C LIG 1 7.965 0.093 0.121 0.00 0.00 +0.031 C BRANCH 34 35 ATOM 35 C LIG 1 8.726 1.119 0.962 0.00 0.00 +0.159 C BRANCH 35 36 ATOM 36 O LIG 1 8.104 1.241 2.239 0.00 0.00 -0.383 OA ATOM 37 C LIG 1 8.780 2.175 3.068 0.00 0.00 +0.193 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 25 26 BRANCH 25 38 ATOM 38 C LIG 1 1.143 1.418 0.491 0.00 0.00 +0.076 C BRANCH 38 39 ATOM 39 C LIG 1 2.166 1.183 1.578 0.00 0.00 -0.044 A ATOM 40 C LIG 1 2.149 -0.002 2.326 0.00 0.00 +0.004 A ATOM 41 C LIG 1 3.110 -0.230 3.312 0.00 0.00 +0.000 A ATOM 42 C LIG 1 4.096 0.724 3.561 0.00 0.00 +0.000 A ATOM 43 C LIG 1 4.116 1.909 2.831 0.00 0.00 +0.000 A ATOM 44 C LIG 1 3.155 2.139 1.844 0.00 0.00 +0.004 A ENDBRANCH 38 39 ENDBRANCH 25 38 ENDBRANCH 24 25 ENDBRANCH 1 24 BRANCH 1 45 ATOM 45 C LIG 1 0.788 -2.646 -1.790 0.00 0.00 +0.041 C BRANCH 45 46 ATOM 46 C LIG 1 -0.217 -3.430 -2.641 0.00 0.00 +0.003 C BRANCH 46 48 ATOM 47 C LIG 1 -0.770 -5.284 -0.972 0.00 0.00 +0.004 C ATOM 48 C LIG 1 -1.306 -4.178 -1.872 0.00 0.00 -0.003 C ENDBRANCH 46 48 ENDBRANCH 45 46 ENDBRANCH 1 45 TORSDOF 21