REMARK Name = BDB026127 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.191 0.871 -0.366 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.684 2.165 -0.568 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.524 3.201 -0.721 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.684 2.433 -0.602 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.607 1.400 -0.430 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.122 0.087 -0.229 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.254 -0.167 -0.201 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.010 1.608 -0.423 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.492 2.164 0.863 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.451 3.726 0.951 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.332 4.148 2.139 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.736 4.417 -0.333 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -4.378 5.718 -0.237 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.402 3.532 -1.296 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.535 2.298 -1.628 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.357 0.082 -0.264 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.554 -0.539 0.615 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 3.230 -0.270 0.561 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.636 0.602 -0.331 0.00 0.00 +0.021 A ATOM 20 C LIG 1 3.551 1.188 -1.182 0.00 0.00 +0.124 A ATOM 21 N LIG 1 4.883 0.949 -1.170 0.00 0.00 -0.222 NA BRANCH 16 27 ATOM 22 C LIG 1 9.184 -2.616 1.339 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.683 -1.457 0.488 0.00 0.00 +0.133 C ATOM 24 O LIG 1 9.134 -1.684 -0.861 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.287 -1.089 -1.858 0.00 0.00 +0.179 C ATOM 26 C LIG 1 7.539 0.165 -1.377 0.00 0.00 +0.136 C ATOM 27 N LIG 1 6.715 -0.160 -0.209 0.00 0.00 -0.295 N ATOM 28 C LIG 1 7.150 -1.307 0.594 0.00 0.00 +0.139 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.112 -0.908 -0.090 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.049 -0.519 -0.199 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.945 -2.244 0.167 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.895 -2.832 0.394 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.239 -2.987 0.224 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -4.141 -3.145 -0.906 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -5.276 -3.851 -0.739 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.624 -4.463 0.571 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -6.682 -5.074 0.676 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.692 -4.285 1.588 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -4.938 -4.881 2.893 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -3.524 -3.564 1.402 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -3.768 -2.557 -2.231 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.504 -2.867 -2.605 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.583 -2.983 -3.232 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.869 -1.204 -2.213 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6