REMARK Name = BDB016637 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.260 1.194 0.040 0.00 0.00 +0.061 A ATOM 2 C LIG 1 5.474 0.290 -0.718 0.00 0.00 +0.045 A ATOM 3 C LIG 1 4.108 0.609 -0.734 0.00 0.00 +0.097 A ATOM 4 C LIG 1 3.608 1.765 -0.025 0.00 0.00 +0.063 A ATOM 5 C LIG 1 2.259 1.815 -0.246 0.00 0.00 +0.221 A ATOM 6 O LIG 1 1.296 2.651 0.139 0.00 0.00 -0.474 OA ATOM 7 C LIG 1 0.189 2.693 -0.767 0.00 0.00 +0.251 C ATOM 8 C LIG 1 -0.426 1.306 -1.043 0.00 0.00 +0.121 C ATOM 9 N LIG 1 -1.252 0.737 0.049 0.00 0.00 -0.274 NA ATOM 10 C LIG 1 -1.211 -0.739 -0.141 0.00 0.00 +0.136 C ATOM 11 C LIG 1 -1.704 -1.536 1.046 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -2.754 -2.365 0.642 0.00 0.00 +0.040 A ATOM 13 C LIG 1 -3.402 -3.219 1.509 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -2.968 -3.225 2.835 0.00 0.00 +0.043 A ATOM 15 C LIG 1 -1.918 -2.393 3.264 0.00 0.00 +0.020 A ATOM 16 CL LIG 1 -3.737 -4.266 3.971 0.00 0.00 -0.083 Cl ATOM 17 N LIG 1 -3.027 -2.179 -0.706 0.00 0.00 -0.283 N ATOM 18 H LIG 1 -3.747 -2.653 -1.231 0.00 0.00 +0.155 HD ATOM 19 C LIG 1 -1.277 -1.536 2.364 0.00 0.00 +0.009 A ATOM 20 C LIG 1 0.271 -0.990 -0.482 0.00 0.00 +0.082 C ATOM 21 C LIG 1 -2.182 -1.229 -1.271 0.00 0.00 +0.243 C ATOM 22 O LIG 1 -2.211 -0.861 -2.436 0.00 0.00 -0.273 OA ATOM 23 C LIG 1 0.663 0.239 -1.331 0.00 0.00 +0.141 C ATOM 24 N LIG 1 1.998 0.698 -0.989 0.00 0.00 -0.227 N ATOM 25 C LIG 1 4.342 2.676 0.723 0.00 0.00 +0.016 A ATOM 26 N LIG 1 3.085 -0.017 -1.343 0.00 0.00 -0.168 NA ATOM 27 C LIG 1 5.710 2.334 0.727 0.00 0.00 +0.016 A ENDROOT BRANCH 20 28 ATOM 28 C LIG 1 0.613 -2.359 -1.052 0.00 0.00 -0.003 A ATOM 29 C LIG 1 1.078 -3.363 -0.185 0.00 0.00 +0.145 A ATOM 30 F LIG 1 1.214 -3.086 1.122 0.00 0.00 -0.204 F ATOM 31 C LIG 1 1.394 -4.640 -0.651 0.00 0.00 +0.076 A ATOM 32 CL LIG 1 1.953 -5.857 0.432 0.00 0.00 -0.081 Cl ATOM 33 C LIG 1 1.251 -4.942 -2.002 0.00 0.00 +0.023 A ATOM 34 C LIG 1 0.789 -3.962 -2.880 0.00 0.00 +0.002 A ATOM 35 C LIG 1 0.472 -2.683 -2.410 0.00 0.00 +0.007 A ENDBRANCH 20 28 BRANCH 9 36 ATOM 36 C LIG 1 -2.579 1.322 0.320 0.00 0.00 +0.058 C ATOM 37 C LIG 1 -2.470 2.206 1.580 0.00 0.00 +0.019 C ATOM 38 C LIG 1 -3.828 2.773 1.994 0.00 0.00 +0.002 C ATOM 39 C LIG 1 -4.503 3.521 0.849 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -4.621 2.647 -0.396 0.00 0.00 +0.002 C ATOM 41 C LIG 1 -3.261 2.096 -0.826 0.00 0.00 +0.019 C ENDBRANCH 9 36 BRANCH 1 43 ATOM 42 O LIG 1 8.499 1.699 0.773 0.00 0.00 -0.245 OA ATOM 43 C LIG 1 7.727 0.990 0.155 0.00 0.00 +0.337 C BRANCH 43 44 ATOM 44 O LIG 1 8.160 -0.094 -0.512 0.00 0.00 -0.477 OA ATOM 45 H LIG 1 9.126 -0.104 -0.347 0.00 0.00 +0.295 HD ENDBRANCH 43 44 ENDBRANCH 1 43 TORSDOF 4