REMARK Name = BDB040506 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.977 -1.471 -1.553 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.800 -2.567 -1.289 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -2.981 -2.417 -0.548 0.00 0.00 +0.047 A ATOM 4 CL LIG 1 -3.925 -3.855 -0.334 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -3.376 -1.165 -0.031 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.539 -0.065 -0.319 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 -2.894 1.550 0.198 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 -1.361 -0.220 -1.064 0.00 0.00 +0.025 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -4.657 -1.027 0.789 0.00 0.00 +0.108 C ATOM 10 C LIG 1 -4.443 -0.362 2.146 0.00 0.00 +0.227 C ATOM 11 O LIG 1 -3.451 -0.563 2.844 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 -5.471 0.423 2.611 0.00 0.00 -0.256 N ATOM 13 H LIG 1 -5.323 0.845 3.518 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 -6.752 0.497 2.127 0.00 0.00 +0.219 C ATOM 15 O LIG 1 -7.637 1.068 2.757 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -7.029 -0.239 0.839 0.00 0.00 +0.097 C ATOM 17 C LIG 1 -5.775 -0.350 -0.014 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 0.309 -1.630 -2.322 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 2.200 -0.424 -1.279 0.00 0.00 +0.226 C ATOM 20 N LIG 1 1.443 -1.577 -1.428 0.00 0.00 -0.310 N ATOM 21 H LIG 1 1.538 -2.326 -0.758 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 1.976 0.567 -1.972 0.00 0.00 -0.275 OA BRANCH 19 23 ATOM 23 C LIG 1 3.287 -0.489 -0.186 0.00 0.00 +0.101 C ATOM 24 C LIG 1 4.216 -1.695 -0.437 0.00 0.00 +0.029 C ATOM 25 C LIG 1 2.609 -0.678 1.187 0.00 0.00 +0.029 C BRANCH 23 30 ATOM 26 C LIG 1 6.298 4.400 -0.337 0.00 0.00 +0.047 C ATOM 27 C LIG 1 5.546 3.118 -0.264 0.00 0.00 -0.014 A ATOM 28 C LIG 1 4.456 2.942 0.559 0.00 0.00 +0.117 A ATOM 29 N LIG 1 3.734 1.807 0.618 0.00 0.00 -0.239 NA ATOM 30 C LIG 1 4.104 0.802 -0.205 0.00 0.00 +0.143 A ATOM 31 N LIG 1 5.159 0.877 -1.045 0.00 0.00 -0.239 NA ATOM 32 C LIG 1 5.845 2.036 -1.062 0.00 0.00 +0.117 A ENDBRANCH 23 30 ENDBRANCH 19 23 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5