REMARK Name = BDB059108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.480 -1.458 0.177 0.00 0.00 +0.001 A ATOM 2 C LIG 1 -1.068 -1.183 0.298 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.202 -2.264 0.609 0.00 0.00 +0.008 A ATOM 4 C LIG 1 1.190 -2.004 0.734 0.00 0.00 +0.015 A ATOM 5 C LIG 1 1.796 -0.741 0.548 0.00 0.00 -0.022 A ATOM 6 C LIG 1 3.327 -0.565 0.706 0.00 0.00 +0.018 C ATOM 7 C LIG 1 3.632 -0.849 2.196 0.00 0.00 +0.021 C ATOM 8 C LIG 1 3.970 -1.627 -0.232 0.00 0.00 +0.021 C ATOM 9 C LIG 1 3.864 0.838 0.313 0.00 0.00 -0.001 A ATOM 10 C LIG 1 2.959 1.858 -0.071 0.00 0.00 +0.071 A ATOM 11 C LIG 1 3.419 3.097 -0.572 0.00 0.00 +0.150 A ATOM 12 C LIG 1 4.780 3.386 -0.622 0.00 0.00 +0.126 A ATOM 13 C LIG 1 5.689 2.442 -0.169 0.00 0.00 +0.157 A ATOM 14 CL LIG 1 5.310 4.917 -1.232 0.00 0.00 -0.076 Cl ATOM 15 C LIG 1 1.503 1.661 0.109 0.00 0.00 +0.201 C ATOM 16 O LIG 1 0.724 2.608 0.184 0.00 0.00 -0.286 OA ATOM 17 C LIG 1 5.247 1.185 0.294 0.00 0.00 +0.089 A ATOM 18 CL LIG 1 6.519 0.141 0.863 0.00 0.00 -0.079 Cl ATOM 19 C LIG 1 0.944 0.311 0.259 0.00 0.00 +0.068 A ATOM 20 C LIG 1 -0.745 -3.569 0.786 0.00 0.00 +0.090 A ATOM 21 CL LIG 1 0.280 -4.928 1.170 0.00 0.00 -0.079 Cl ATOM 22 C LIG 1 -2.113 -3.808 0.652 0.00 0.00 +0.136 A ATOM 23 C LIG 1 -0.454 0.100 0.139 0.00 0.00 +0.136 A ATOM 24 C LIG 1 -2.971 -2.767 0.351 0.00 0.00 +0.056 A ENDROOT BRANCH 1 26 ATOM 25 C LIG 1 -3.904 -0.241 -1.480 0.00 0.00 +0.132 A ATOM 26 C LIG 1 -3.497 -0.425 -0.137 0.00 0.00 +0.029 A ATOM 27 C LIG 1 -4.090 0.377 0.877 0.00 0.00 -0.017 A ATOM 28 C LIG 1 -3.678 0.249 2.324 0.00 0.00 +0.046 C ATOM 29 C LIG 1 -5.044 1.345 0.503 0.00 0.00 +0.086 A ATOM 30 CL LIG 1 -5.778 2.393 1.677 0.00 0.00 -0.079 Cl ATOM 31 C LIG 1 -5.434 1.487 -0.834 0.00 0.00 +0.139 A ATOM 32 C LIG 1 -4.881 0.693 -1.825 0.00 0.00 +0.093 A BRANCH 25 34 ATOM 33 C LIG 1 -2.587 -0.303 -3.378 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -3.372 -1.056 -2.453 0.00 0.00 -0.494 OA ENDBRANCH 25 34 BRANCH 31 35 ATOM 35 O LIG 1 -6.374 2.404 -1.224 0.00 0.00 -0.505 OA ATOM 36 H LIG 1 -6.643 2.894 -0.424 0.00 0.00 +0.292 HD ENDBRANCH 31 35 ENDBRANCH 1 26 BRANCH 13 37 ATOM 37 O LIG 1 7.029 2.753 -0.191 0.00 0.00 -0.504 OA ATOM 38 H LIG 1 7.526 1.992 0.164 0.00 0.00 +0.292 HD ENDBRANCH 13 37 BRANCH 11 39 ATOM 39 O LIG 1 2.528 4.024 -1.054 0.00 0.00 -0.504 OA ATOM 40 H LIG 1 3.016 4.835 -1.291 0.00 0.00 +0.292 HD ENDBRANCH 11 39 BRANCH 22 41 ATOM 41 O LIG 1 -2.617 -5.070 0.817 0.00 0.00 -0.505 OA ATOM 42 H LIG 1 -3.568 -5.068 0.619 0.00 0.00 +0.292 HD ENDBRANCH 22 41 BRANCH 23 43 ATOM 43 O LIG 1 -1.274 1.171 -0.151 0.00 0.00 -0.505 OA ATOM 44 H LIG 1 -0.753 2.003 -0.077 0.00 0.00 +0.292 HD ENDBRANCH 23 43 TORSDOF 7