REMARK Name = BDB025793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.520 -0.725 0.663 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.539 0.212 0.526 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.876 -0.206 0.523 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.211 -1.561 0.684 0.00 0.00 +0.021 A ATOM 5 C LIG 1 1.157 -2.466 0.863 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.414 -3.772 1.029 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.181 -2.064 0.855 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.826 -2.345 1.835 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.681 -2.019 0.860 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.178 -1.743 -0.522 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.848 -2.919 -1.091 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.039 -1.297 -1.382 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.480 -0.947 -2.814 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.337 -0.042 -0.792 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.847 -0.262 0.588 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.872 -0.837 1.479 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.615 -2.001 0.671 0.00 0.00 +0.004 A ATOM 18 C LIG 1 4.500 -1.609 -0.344 0.00 0.00 +0.024 A ATOM 19 C LIG 1 5.832 -2.037 -0.326 0.00 0.00 +0.055 A ATOM 20 C LIG 1 6.238 -2.869 0.706 0.00 0.00 +0.123 A ATOM 21 N LIG 1 5.426 -3.270 1.711 0.00 0.00 -0.262 NA ATOM 22 C LIG 1 4.142 -2.831 1.665 0.00 0.00 +0.119 A BRANCH 19 23 ATOM 23 C LIG 1 6.745 -1.630 -1.414 0.00 0.00 +0.243 C ATOM 24 O LIG 1 6.320 -1.325 -2.520 0.00 0.00 -0.270 OA ATOM 25 N LIG 1 8.083 -1.573 -1.134 0.00 0.00 -0.325 N ATOM 26 H LIG 1 8.661 -1.163 -1.859 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 8.434 -1.514 -0.188 0.00 0.00 +0.145 HD ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 28 ATOM 28 N LIG 1 0.149 1.567 0.443 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -0.859 1.681 0.517 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 0.942 2.679 0.300 0.00 0.00 +0.250 C ATOM 31 O LIG 1 2.158 2.729 0.181 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 0.145 3.937 0.269 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -0.014 4.727 -0.947 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -0.741 5.862 -0.903 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -1.363 6.314 0.366 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -2.025 7.341 0.419 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -1.151 5.505 1.456 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -1.564 5.823 2.326 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -0.413 4.348 1.420 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 0.610 4.224 -2.213 0.00 0.00 +0.418 C ATOM 41 F LIG 1 0.276 2.932 -2.463 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.194 4.934 -3.297 0.00 0.00 -0.166 F ATOM 43 F LIG 1 1.960 4.307 -2.199 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6