REMARK Name = BDB019762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.449 0.296 1.450 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.153 1.411 0.652 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.163 2.045 -0.087 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.474 1.539 -0.003 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.787 0.438 0.815 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.762 -0.181 1.541 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.865 3.234 -0.905 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -0.116 3.185 -2.101 0.00 0.00 +0.051 A ATOM 9 CL LIG 1 0.503 1.694 -2.729 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 0.152 4.349 -2.831 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -0.327 5.568 -2.371 0.00 0.00 +0.125 A ATOM 12 F LIG 1 -0.064 6.684 -3.066 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -1.065 5.653 -1.198 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -1.333 4.491 -0.467 0.00 0.00 +0.013 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.828 -0.509 1.606 0.00 0.00 -0.307 N ATOM 16 H LIG 1 1.898 -0.322 0.613 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 0.611 -0.381 2.237 0.00 0.00 +0.244 C ATOM 18 O LIG 1 0.367 -0.800 3.362 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 2.908 -1.235 2.228 0.00 0.00 +0.139 C BRANCH 19 23 ATOM 20 C LIG 1 7.115 0.692 0.211 0.00 0.00 +0.044 C ATOM 21 C LIG 1 6.110 -0.417 0.305 0.00 0.00 -0.050 A ATOM 22 C LIG 1 5.040 -0.334 1.210 0.00 0.00 +0.008 A ATOM 23 C LIG 1 4.077 -1.351 1.281 0.00 0.00 -0.030 A ATOM 24 C LIG 1 4.173 -2.445 0.407 0.00 0.00 +0.008 A ATOM 25 C LIG 1 5.218 -2.529 -0.524 0.00 0.00 -0.050 A ATOM 26 C LIG 1 5.328 -3.720 -1.434 0.00 0.00 +0.044 C ATOM 27 C LIG 1 6.186 -1.518 -0.559 0.00 0.00 +0.006 A ENDBRANCH 19 23 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -4.198 -0.098 0.875 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 N LIG 1 -4.349 -1.166 -0.092 0.00 0.00 -0.313 N ATOM 30 H LIG 1 -3.883 -0.958 -0.971 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.549 -1.724 -0.348 0.00 0.00 +0.176 C ATOM 32 N LIG 1 -6.352 -2.008 0.708 0.00 0.00 -0.316 N ATOM 33 H LIG 1 -5.848 -2.376 1.506 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -7.408 -2.864 0.205 0.00 0.00 +0.127 C ATOM 35 C LIG 1 -7.325 -2.595 -1.301 0.00 0.00 +0.163 C ATOM 36 N LIG 1 -5.970 -2.029 -1.543 0.00 0.00 -0.255 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7