REMARK Name = BDB026555 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.184 -0.400 -0.815 0.00 0.00 +0.075 C ATOM 2 C LIG 1 1.227 -0.065 -1.923 0.00 0.00 +0.034 C ATOM 3 C LIG 1 2.611 -0.684 -1.691 0.00 0.00 +0.086 C ATOM 4 N LIG 1 2.935 -0.644 -0.266 0.00 0.00 -0.298 NA ATOM 5 C LIG 1 2.069 -1.556 0.495 0.00 0.00 +0.086 C ATOM 6 C LIG 1 0.653 -1.676 -0.080 0.00 0.00 +0.034 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -1.165 -0.609 -1.502 0.00 0.00 +0.311 C ATOM 8 O LIG 1 -1.602 0.067 -2.424 0.00 0.00 -0.250 OA BRANCH 7 9 ATOM 9 O LIG 1 -1.903 -1.584 -0.935 0.00 0.00 -0.480 OA ATOM 10 H LIG 1 -2.841 -1.246 -0.980 0.00 0.00 +0.295 HD ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 1 11 ATOM 11 C LIG 1 0.029 0.817 0.147 0.00 0.00 +0.076 C BRANCH 11 14 ATOM 12 C LIG 1 -3.249 0.331 1.770 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -2.291 0.591 0.859 0.00 0.00 -0.234 NA ATOM 14 C LIG 1 -0.991 0.630 1.246 0.00 0.00 +0.080 A ATOM 15 C LIG 1 -0.616 0.475 2.572 0.00 0.00 +0.148 A ATOM 16 F LIG 1 0.676 0.518 2.928 0.00 0.00 -0.203 F ATOM 17 C LIG 1 -1.595 0.254 3.537 0.00 0.00 -0.010 A ATOM 18 C LIG 1 -1.218 0.039 4.969 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -2.928 0.162 3.118 0.00 0.00 +0.050 A BRANCH 12 20 ATOM 20 N LIG 1 -4.597 0.185 1.374 0.00 0.00 -0.283 N ATOM 21 H LIG 1 -5.194 0.706 2.004 0.00 0.00 +0.155 HD BRANCH 20 27 ATOM 22 C LIG 1 -7.517 0.302 -2.620 0.00 0.00 +0.065 C ATOM 23 C LIG 1 -6.446 0.093 -1.623 0.00 0.00 +0.035 A ATOM 24 N LIG 1 -5.264 -0.515 -1.935 0.00 0.00 -0.280 N ATOM 25 H LIG 1 -4.959 -0.869 -2.837 0.00 0.00 +0.189 HD ATOM 26 N LIG 1 -4.436 -0.653 -0.886 0.00 0.00 -0.158 NA ATOM 27 C LIG 1 -5.053 -0.009 0.113 0.00 0.00 +0.146 A ATOM 28 C LIG 1 -6.338 0.429 -0.292 0.00 0.00 +0.068 A ENDBRANCH 20 27 ENDBRANCH 12 20 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 4 29 ATOM 29 C LIG 1 4.353 -0.935 0.002 0.00 0.00 +0.122 C BRANCH 29 30 ATOM 30 C LIG 1 5.276 0.192 -0.401 0.00 0.00 +0.003 A ATOM 31 C LIG 1 6.429 -0.069 -1.148 0.00 0.00 +0.146 A ATOM 32 F LIG 1 6.697 -1.330 -1.523 0.00 0.00 -0.204 F ATOM 33 C LIG 1 7.299 0.962 -1.506 0.00 0.00 +0.076 A ATOM 34 CL LIG 1 8.713 0.634 -2.433 0.00 0.00 -0.081 Cl ATOM 35 C LIG 1 7.030 2.273 -1.111 0.00 0.00 +0.023 A ATOM 36 C LIG 1 5.890 2.548 -0.355 0.00 0.00 +0.002 A ATOM 37 C LIG 1 5.022 1.514 0.002 0.00 0.00 +0.008 A ENDBRANCH 29 30 ENDBRANCH 4 29 TORSDOF 8