REMARK Name = BDB058111 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.230 -1.408 -1.767 0.00 0.00 +0.048 C ATOM 2 C LIG 1 -3.733 -1.367 -1.595 0.00 0.00 +0.004 C ATOM 3 C LIG 1 -3.016 -0.421 -0.934 0.00 0.00 -0.000 C ATOM 4 C LIG 1 -3.749 0.636 -0.203 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -3.733 0.590 1.199 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -4.445 1.510 1.958 0.00 0.00 +0.084 A ATOM 7 C LIG 1 -5.137 2.520 1.300 0.00 0.00 +0.127 A ATOM 8 C LIG 1 -5.134 2.614 -0.091 0.00 0.00 +0.039 A ATOM 9 F LIG 1 -5.818 3.425 2.016 0.00 0.00 -0.205 F ATOM 10 O LIG 1 -3.045 -0.415 1.832 0.00 0.00 -0.487 OA ATOM 11 C LIG 1 -1.633 -0.160 1.784 0.00 0.00 +0.265 C ATOM 12 C LIG 1 -0.908 -0.420 0.468 0.00 0.00 -0.002 A ATOM 13 C LIG 1 0.499 -0.507 0.533 0.00 0.00 +0.011 A ATOM 14 C LIG 1 1.291 -0.634 -0.619 0.00 0.00 -0.041 A ATOM 15 C LIG 1 0.656 -0.676 -1.861 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -0.735 -0.587 -1.948 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -4.438 1.669 -0.849 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -1.533 -0.491 -0.793 0.00 0.00 -0.010 A ENDROOT BRANCH 2 19 ATOM 19 C LIG 1 -3.084 -2.550 -2.208 0.00 0.00 +0.179 A ATOM 20 N LIG 1 -2.363 -3.366 -1.442 0.00 0.00 -0.272 N ATOM 21 H LIG 1 -2.130 -3.271 -0.469 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -1.889 -4.327 -2.245 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -1.143 -5.236 -1.916 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -2.375 -4.114 -3.511 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -3.166 -2.924 -3.437 0.00 0.00 -0.055 NA ENDBRANCH 2 19 BRANCH 14 26 ATOM 26 C LIG 1 2.799 -0.747 -0.530 0.00 0.00 +0.090 C BRANCH 26 27 ATOM 27 C LIG 1 3.435 0.304 0.317 0.00 0.00 +0.051 A ATOM 28 N LIG 1 3.532 1.640 -0.029 0.00 0.00 -0.302 N ATOM 29 C LIG 1 4.170 2.287 1.032 0.00 0.00 +0.157 A ATOM 30 C LIG 1 4.371 3.694 0.898 0.00 0.00 +0.084 A ATOM 31 C LIG 1 3.958 4.337 -0.211 0.00 0.00 +0.025 A ATOM 32 C LIG 1 3.302 3.628 -1.297 0.00 0.00 +0.020 A ATOM 33 CL LIG 1 5.147 4.552 2.176 0.00 0.00 -0.080 Cl ATOM 34 N LIG 1 4.479 1.437 1.992 0.00 0.00 -0.231 NA ATOM 35 C LIG 1 3.104 2.305 -1.182 0.00 0.00 +0.093 A ATOM 36 C LIG 1 4.045 0.222 1.551 0.00 0.00 +0.067 A BRANCH 36 37 ATOM 37 C LIG 1 4.215 -1.078 2.377 0.00 0.00 +0.040 C ATOM 38 C LIG 1 5.477 -1.269 3.177 0.00 0.00 +0.010 C ATOM 39 C LIG 1 5.243 -2.090 1.943 0.00 0.00 +0.010 C ENDBRANCH 36 37 ENDBRANCH 26 27 ENDBRANCH 14 26 TORSDOF 4