REMARK Name = BDB059109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.515 -1.457 -0.245 0.00 0.00 +0.001 A ATOM 2 C LIG 1 1.093 -1.202 -0.239 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.229 -2.216 -0.732 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -1.173 -1.981 -0.726 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -1.787 -0.787 -0.282 0.00 0.00 -0.022 A ATOM 6 C LIG 1 -3.328 -0.627 -0.315 0.00 0.00 +0.018 C ATOM 7 C LIG 1 -3.749 -0.954 -1.777 0.00 0.00 +0.021 C ATOM 8 C LIG 1 -3.877 -1.665 0.694 0.00 0.00 +0.021 C ATOM 9 C LIG 1 -3.843 0.793 0.048 0.00 0.00 -0.001 A ATOM 10 C LIG 1 -2.925 1.794 0.450 0.00 0.00 +0.071 A ATOM 11 C LIG 1 -3.334 3.132 0.648 0.00 0.00 +0.150 A ATOM 12 C LIG 1 -4.675 3.485 0.536 0.00 0.00 +0.126 A ATOM 13 C LIG 1 -5.616 2.513 0.229 0.00 0.00 +0.157 A ATOM 14 CL LIG 1 -5.171 5.123 0.791 0.00 0.00 -0.076 Cl ATOM 15 C LIG 1 -1.517 1.436 0.735 0.00 0.00 +0.201 C ATOM 16 O LIG 1 -0.801 2.133 1.450 0.00 0.00 -0.286 OA ATOM 17 C LIG 1 -5.217 1.181 -0.011 0.00 0.00 +0.089 A ATOM 18 CL LIG 1 -6.514 0.066 -0.335 0.00 0.00 -0.079 Cl ATOM 19 C LIG 1 -0.941 0.192 0.209 0.00 0.00 +0.068 A ATOM 20 C LIG 1 0.785 -3.432 -1.213 0.00 0.00 +0.090 A ATOM 21 CL LIG 1 -0.210 -4.721 -1.833 0.00 0.00 -0.079 Cl ATOM 22 C LIG 1 2.163 -3.647 -1.214 0.00 0.00 +0.136 A ATOM 23 C LIG 1 0.464 -0.007 0.232 0.00 0.00 +0.136 A ATOM 24 C LIG 1 3.019 -2.675 -0.739 0.00 0.00 +0.056 A ENDROOT BRANCH 1 26 ATOM 25 C LIG 1 4.179 0.375 -0.649 0.00 0.00 +0.150 A ATOM 26 C LIG 1 3.524 -0.494 0.259 0.00 0.00 +0.031 A ATOM 27 C LIG 1 3.872 -0.438 1.636 0.00 0.00 -0.017 A ATOM 28 C LIG 1 3.196 -1.325 2.656 0.00 0.00 +0.046 C ATOM 29 C LIG 1 4.836 0.501 2.057 0.00 0.00 +0.087 A ATOM 30 CL LIG 1 5.265 0.653 3.735 0.00 0.00 -0.079 Cl ATOM 31 C LIG 1 5.482 1.341 1.139 0.00 0.00 +0.157 A ATOM 32 C LIG 1 5.168 1.271 -0.218 0.00 0.00 +0.126 A ATOM 33 CL LIG 1 6.001 2.279 -1.356 0.00 0.00 -0.076 Cl BRANCH 25 35 ATOM 34 C LIG 1 2.910 1.255 -2.372 0.00 0.00 +0.277 C ATOM 35 O LIG 1 3.883 0.279 -1.992 0.00 0.00 -0.493 OA ENDBRANCH 25 35 BRANCH 31 36 ATOM 36 O LIG 1 6.434 2.236 1.567 0.00 0.00 -0.504 OA ATOM 37 H LIG 1 6.509 2.147 2.535 0.00 0.00 +0.292 HD ENDBRANCH 31 36 ENDBRANCH 1 26 BRANCH 13 38 ATOM 38 O LIG 1 -6.947 2.850 0.148 0.00 0.00 -0.504 OA ATOM 39 H LIG 1 -7.040 3.802 0.340 0.00 0.00 +0.292 HD ENDBRANCH 13 38 BRANCH 11 40 ATOM 40 O LIG 1 -2.411 4.110 0.917 0.00 0.00 -0.504 OA ATOM 41 H LIG 1 -2.871 4.950 1.094 0.00 0.00 +0.292 HD ENDBRANCH 11 40 BRANCH 22 42 ATOM 42 O LIG 1 2.727 -4.807 -1.670 0.00 0.00 -0.505 OA ATOM 43 H LIG 1 2.004 -5.380 -1.987 0.00 0.00 +0.292 HD ENDBRANCH 22 42 BRANCH 23 44 ATOM 44 O LIG 1 1.280 0.997 0.714 0.00 0.00 -0.505 OA ATOM 45 H LIG 1 0.720 1.681 1.150 0.00 0.00 +0.292 HD ENDBRANCH 23 44 TORSDOF 7