REMARK Name = BDB006449 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.027 -5.016 -2.445 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.267 -3.980 -1.403 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.375 -2.926 -1.032 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.990 -2.186 -0.021 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.376 -1.062 0.559 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.895 -0.693 0.107 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.540 -1.429 -0.889 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.225 -2.767 0.214 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.907 -2.535 -1.474 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.403 -3.858 -0.614 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.634 -4.699 -0.601 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.895 -1.056 -1.378 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.737 -0.482 -0.449 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.479 -0.518 0.528 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.226 -1.292 -2.534 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.104 -0.126 -0.782 0.00 0.00 +0.101 C ATOM 17 C LIG 1 5.997 -1.373 -0.828 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.573 0.959 0.187 0.00 0.00 -0.015 A ATOM 19 C LIG 1 5.292 2.328 -0.058 0.00 0.00 +0.060 A ATOM 20 C LIG 1 5.721 3.297 0.872 0.00 0.00 +0.013 A ATOM 21 C LIG 1 6.401 2.933 2.034 0.00 0.00 +0.013 A ATOM 22 C LIG 1 6.658 1.588 2.307 0.00 0.00 +0.055 A ATOM 23 C LIG 1 6.243 0.616 1.381 0.00 0.00 +0.018 A BRANCH 19 24 ATOM 24 C LIG 1 4.537 2.795 -1.292 0.00 0.00 +0.418 C ATOM 25 F LIG 1 4.364 4.148 -1.333 0.00 0.00 -0.166 F ATOM 26 F LIG 1 3.285 2.271 -1.377 0.00 0.00 -0.166 F ATOM 27 F LIG 1 5.176 2.478 -2.450 0.00 0.00 -0.166 F ENDBRANCH 19 24 BRANCH 22 28 ATOM 28 C LIG 1 7.397 1.179 3.560 0.00 0.00 +0.417 C ATOM 29 F LIG 1 7.357 2.122 4.542 0.00 0.00 -0.166 F ATOM 30 F LIG 1 8.715 0.934 3.326 0.00 0.00 -0.166 F ATOM 31 F LIG 1 6.896 0.041 4.117 0.00 0.00 -0.166 F ENDBRANCH 22 28 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 32 ATOM 32 C LIG 1 -3.169 -2.305 1.235 0.00 0.00 +0.157 C BRANCH 32 33 ATOM 33 C LIG 1 -3.861 -1.008 0.881 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -4.106 -0.063 1.887 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -4.770 1.134 1.598 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -5.219 1.420 0.300 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -4.987 0.462 -0.698 0.00 0.00 +0.009 A ATOM 38 C LIG 1 -4.326 -0.738 -0.412 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -5.911 2.683 -0.005 0.00 0.00 -0.018 A ATOM 40 C LIG 1 -7.039 3.087 0.728 0.00 0.00 +0.008 A ATOM 41 C LIG 1 -7.696 4.286 0.438 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -7.234 5.103 -0.591 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -6.118 4.721 -1.330 0.00 0.00 +0.001 A ATOM 44 C LIG 1 -5.463 3.521 -1.040 0.00 0.00 +0.008 A ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 8