REMARK Name = BDB019634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.529 -0.562 0.602 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.283 0.569 1.391 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.988 1.163 1.410 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.012 0.597 0.634 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.783 -0.538 -0.158 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.507 -1.119 -0.157 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.245 2.347 2.241 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -1.251 3.656 1.706 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -1.000 3.914 0.243 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -1.514 4.746 2.552 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -1.755 4.540 3.906 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -2.000 5.591 4.699 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -1.744 3.264 4.447 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -1.491 2.172 3.618 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.953 -0.395 0.768 0.00 0.00 -0.307 N ATOM 16 H LIG 1 2.823 0.605 0.714 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.865 -1.217 0.566 0.00 0.00 +0.244 C ATOM 18 O LIG 1 1.952 -2.418 0.336 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 4.304 -0.883 0.605 0.00 0.00 +0.139 C BRANCH 19 26 ATOM 20 C LIG 1 7.008 2.202 -2.329 0.00 0.00 +0.045 C ATOM 21 C LIG 1 6.138 0.983 -2.192 0.00 0.00 -0.032 A ATOM 22 C LIG 1 5.793 0.192 -3.298 0.00 0.00 +0.044 A ATOM 23 CL LIG 1 6.347 0.572 -4.889 0.00 0.00 -0.083 Cl ATOM 24 C LIG 1 4.982 -0.934 -3.140 0.00 0.00 +0.020 A ATOM 25 C LIG 1 4.507 -1.284 -1.876 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.843 -0.515 -0.755 0.00 0.00 -0.030 A ATOM 27 C LIG 1 5.652 0.619 -0.924 0.00 0.00 +0.010 A ENDBRANCH 19 26 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -2.900 -1.154 -0.966 0.00 0.00 +0.138 C BRANCH 28 29 ATOM 29 N LIG 1 -3.405 -2.320 -0.279 0.00 0.00 -0.329 N ATOM 30 H LIG 1 -3.196 -2.388 0.710 0.00 0.00 +0.147 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.421 -3.075 -0.786 0.00 0.00 +0.090 C ATOM 32 C LIG 1 -5.015 -4.176 0.050 0.00 0.00 +0.073 C ATOM 33 C LIG 1 -6.327 -4.357 -0.673 0.00 0.00 +0.031 C ATOM 34 C LIG 1 -5.969 -3.970 -2.094 0.00 0.00 +0.143 C ATOM 35 N LIG 1 -4.928 -2.930 -1.972 0.00 0.00 -0.273 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7