REMARK Name = BDB005919 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.013 -0.242 1.446 0.00 0.00 +0.102 A ATOM 2 C LIG 1 0.688 -0.686 1.373 0.00 0.00 +0.097 A ATOM 3 C LIG 1 0.218 -1.666 2.245 0.00 0.00 +0.095 A ATOM 4 N LIG 1 -1.085 -1.990 1.982 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 -1.437 -1.235 0.970 0.00 0.00 +0.200 A ATOM 6 C LIG 1 1.043 -2.198 3.235 0.00 0.00 +0.061 A ATOM 7 C LIG 1 2.325 -1.683 3.290 0.00 0.00 +0.112 A ATOM 8 N LIG 1 -0.423 -0.371 0.611 0.00 0.00 -0.310 N ATOM 9 N LIG 1 2.796 -0.739 2.441 0.00 0.00 -0.241 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.639 -1.233 0.330 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -2.803 -2.387 -0.592 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.289 -2.608 -0.902 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -4.241 -3.591 -2.059 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -3.005 -3.167 -2.863 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -5.012 -3.091 0.227 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -4.514 -2.511 1.454 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -2.230 -2.173 -1.985 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -3.809 -1.148 1.266 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 1 20 ATOM 19 C LIG 1 2.920 0.463 -0.784 0.00 0.00 +0.224 A ATOM 20 C LIG 1 2.653 0.724 0.566 0.00 0.00 +0.065 A ATOM 21 C LIG 1 3.082 1.963 1.069 0.00 0.00 +0.037 A ATOM 22 C LIG 1 3.700 2.880 0.229 0.00 0.00 +0.060 A ATOM 23 CL LIG 1 4.203 4.410 0.820 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 3.889 2.533 -1.097 0.00 0.00 +0.134 A ATOM 25 N LIG 1 3.511 1.345 -1.626 0.00 0.00 -0.219 NA BRANCH 19 26 ATOM 26 O LIG 1 2.532 -0.768 -1.281 0.00 0.00 -0.474 OA BRANCH 26 27 ATOM 27 C LIG 1 2.861 -0.998 -2.653 0.00 0.00 +0.258 C BRANCH 27 28 ATOM 28 C LIG 1 4.311 -1.457 -2.819 0.00 0.00 +0.200 C BRANCH 28 30 ATOM 29 C LIG 1 4.978 -0.584 -4.920 0.00 0.00 +0.194 C ATOM 30 O LIG 1 4.619 -1.747 -4.184 0.00 0.00 -0.380 OA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 19 26 ENDBRANCH 1 20 BRANCH 7 31 ATOM 31 C LIG 1 3.294 -2.145 4.312 0.00 0.00 +0.201 A ATOM 32 N LIG 1 3.090 -3.271 5.016 0.00 0.00 -0.270 N ATOM 33 H LIG 1 2.360 -3.958 4.952 0.00 0.00 +0.174 HD ATOM 34 C LIG 1 4.149 -3.419 5.825 0.00 0.00 +0.440 A ATOM 35 O LIG 1 4.327 -4.348 6.596 0.00 0.00 -0.221 OA ATOM 36 O LIG 1 4.996 -2.359 5.637 0.00 0.00 -0.295 OA ATOM 37 N LIG 1 4.398 -1.547 4.624 0.00 0.00 -0.053 NA ENDBRANCH 7 31 BRANCH 8 38 ATOM 38 C LIG 1 -0.560 0.717 -0.342 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 -0.672 2.107 0.317 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -2.013 2.265 1.063 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -2.392 3.732 1.218 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -2.636 4.393 -0.150 0.00 0.00 -0.014 C ATOM 43 C LIG 1 -2.440 5.906 -0.047 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -1.760 3.786 -1.262 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -0.448 3.228 -0.720 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 9