REMARK Name = BDB026192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.977 0.663 -0.176 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.760 -0.633 0.362 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.528 -1.065 0.701 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.637 -0.230 0.501 0.00 0.00 +0.038 A ATOM 5 C LIG 1 1.421 1.032 -0.058 0.00 0.00 +0.134 A ATOM 6 F LIG 1 2.439 1.883 -0.260 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.140 1.470 -0.397 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -1.901 4.182 -1.660 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.088 3.208 -1.633 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.037 3.422 -0.511 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.495 4.801 -0.384 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.477 2.924 0.757 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.146 1.422 0.690 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.274 1.092 -0.452 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.615 1.723 -1.740 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.981 -0.674 0.841 0.00 0.00 +0.083 A ATOM 17 N LIG 1 4.075 -0.313 0.076 0.00 0.00 -0.225 NA ATOM 18 C LIG 1 5.195 -0.812 0.555 0.00 0.00 +0.161 A ATOM 19 S LIG 1 4.961 -1.775 1.979 0.00 0.00 -0.060 S ATOM 20 C LIG 1 3.279 -1.475 1.923 0.00 0.00 +0.077 A BRANCH 18 21 ATOM 21 N LIG 1 6.411 -0.596 -0.020 0.00 0.00 -0.305 N ATOM 22 C LIG 1 7.668 -1.055 0.573 0.00 0.00 +0.135 C ATOM 23 C LIG 1 8.817 -0.885 -0.434 0.00 0.00 +0.179 C ATOM 24 O LIG 1 9.012 0.470 -0.865 0.00 0.00 -0.377 OA ATOM 25 C LIG 1 7.801 1.241 -0.888 0.00 0.00 +0.179 C ATOM 26 C LIG 1 6.527 0.405 -1.089 0.00 0.00 +0.135 C ENDBRANCH 18 21 ENDBRANCH 4 16 BRANCH 2 27 ATOM 27 N LIG 1 -1.902 -1.462 0.456 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -2.719 -1.030 0.031 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -1.999 -2.717 1.001 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -1.132 -3.333 1.608 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -3.367 -3.302 0.866 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -4.019 -3.592 -0.408 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -5.251 -4.141 -0.407 0.00 0.00 +0.083 A ATOM 34 C LIG 1 -5.943 -4.449 0.869 0.00 0.00 +0.249 A ATOM 35 O LIG 1 -7.067 -4.932 0.879 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -5.241 -4.160 2.011 0.00 0.00 -0.328 N ATOM 37 H LIG 1 -5.703 -4.390 2.884 0.00 0.00 +0.168 HD ATOM 38 C LIG 1 -3.983 -3.610 2.019 0.00 0.00 +0.099 A BRANCH 32 39 ATOM 39 C LIG 1 -3.288 -3.309 -1.684 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -3.919 -3.833 -2.768 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.195 -1.974 -1.907 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.032 -3.813 -1.688 0.00 0.00 -0.166 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 2 27 TORSDOF 6