REMARK Name = BDB007213 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.270 0.358 -0.479 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -3.653 -0.787 -1.191 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -2.663 -1.700 -1.569 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -1.310 -1.468 -1.255 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -0.263 -2.471 -1.615 0.00 0.00 +0.132 C ATOM 6 C LIG 1 1.133 -1.901 -1.805 0.00 0.00 +0.225 C ATOM 7 N LIG 1 1.511 -0.806 -1.014 0.00 0.00 -0.260 N ATOM 8 C LIG 1 0.517 -0.109 -0.155 0.00 0.00 +0.142 C ATOM 9 O LIG 1 1.864 -2.466 -2.626 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -0.934 -0.323 -0.553 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -1.925 0.604 -0.187 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 0.728 -0.398 1.337 0.00 0.00 -0.022 A ATOM 13 C LIG 1 0.968 -1.698 1.817 0.00 0.00 +0.007 A ATOM 14 C LIG 1 1.141 -1.935 3.185 0.00 0.00 +0.020 A ATOM 15 C LIG 1 1.070 -0.878 4.086 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 1.277 -1.174 5.768 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 0.827 0.418 3.635 0.00 0.00 +0.020 A ATOM 18 C LIG 1 0.656 0.657 2.268 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 2.902 -0.394 -0.913 0.00 0.00 +0.037 A ATOM 20 C LIG 1 3.955 -1.272 -1.206 0.00 0.00 +0.024 A ATOM 21 C LIG 1 5.299 -0.895 -1.061 0.00 0.00 +0.008 A ATOM 22 C LIG 1 5.649 0.387 -0.624 0.00 0.00 -0.019 A ATOM 23 C LIG 1 4.609 1.272 -0.331 0.00 0.00 +0.008 A ATOM 24 C LIG 1 3.266 0.888 -0.466 0.00 0.00 +0.024 A BRANCH 22 25 ATOM 25 C LIG 1 7.107 0.762 -0.449 0.00 0.00 +0.141 C ATOM 26 C LIG 1 7.881 0.740 -1.764 0.00 0.00 +0.043 C BRANCH 25 27 ATOM 27 O LIG 1 7.238 2.067 0.121 0.00 0.00 -0.387 OA ATOM 28 H LIG 1 8.163 2.156 0.407 0.00 0.00 +0.210 HD ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 29 ATOM 29 O LIG 1 -4.992 -0.930 -1.440 0.00 0.00 -0.491 OA ATOM 30 C LIG 1 -5.386 -1.976 -2.318 0.00 0.00 +0.277 C ENDBRANCH 2 29 BRANCH 1 31 ATOM 31 O LIG 1 -4.213 1.294 -0.135 0.00 0.00 -0.485 OA BRANCH 31 32 ATOM 32 C LIG 1 -4.482 1.310 1.279 0.00 0.00 +0.170 C ATOM 33 C LIG 1 -5.577 0.294 1.618 0.00 0.00 +0.052 C BRANCH 32 35 ATOM 34 C LIG 1 -6.106 3.285 0.925 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -4.886 2.748 1.665 0.00 0.00 +0.041 C ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 8