REMARK Name = BDB019537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.153 -0.996 -1.411 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.760 -2.060 -0.731 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.096 -1.972 -0.309 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.814 -0.798 -0.588 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.227 0.271 -1.285 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.892 0.160 -1.693 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.732 -3.079 0.422 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.116 -4.289 -0.194 0.00 0.00 +0.051 A ATOM 9 CL LIG 1 -2.889 -4.562 -1.888 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 -3.713 -5.313 0.546 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -3.933 -5.135 1.905 0.00 0.00 +0.125 A ATOM 12 F LIG 1 -4.505 -6.116 2.614 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -3.570 -3.956 2.541 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.973 -2.932 1.803 0.00 0.00 +0.013 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.108 -1.870 -1.149 0.00 0.00 -0.307 N ATOM 16 H LIG 1 1.813 -2.198 -0.241 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.262 -1.057 -1.873 0.00 0.00 +0.244 C ATOM 18 O LIG 1 1.623 -0.378 -2.827 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.531 -1.896 -1.409 0.00 0.00 +0.140 C BRANCH 19 24 ATOM 20 C LIG 1 4.964 1.265 0.159 0.00 0.00 +0.124 A ATOM 21 C LIG 1 5.561 0.748 1.314 0.00 0.00 +0.091 A ATOM 22 C LIG 1 5.508 -0.618 1.592 0.00 0.00 +0.124 A ATOM 23 C LIG 1 4.855 -1.472 0.702 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.261 -0.975 -0.466 0.00 0.00 -0.023 A ATOM 25 C LIG 1 4.317 0.403 -0.727 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 4.455 3.201 -1.125 0.00 0.00 +0.277 C ATOM 27 O LIG 1 5.082 2.621 0.014 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 6.044 -1.238 2.688 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 6.741 -0.413 3.613 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -3.025 1.518 -1.583 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 N LIG 1 -3.348 2.192 -0.341 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -2.542 2.269 0.273 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -4.038 3.351 -0.315 0.00 0.00 +0.176 C ATOM 34 N LIG 1 -5.096 3.481 -1.155 0.00 0.00 -0.316 N ATOM 35 H LIG 1 -5.657 2.641 -1.226 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 -5.822 4.662 -0.734 0.00 0.00 +0.127 C ATOM 37 C LIG 1 -4.782 5.365 0.144 0.00 0.00 +0.163 C ATOM 38 N LIG 1 -3.766 4.334 0.492 0.00 0.00 -0.255 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9