REMARK Name = BDB047792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.501 0.583 -2.097 0.00 0.00 -0.009 A ATOM 2 C LIG 1 0.470 1.857 -1.513 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -0.578 2.251 -0.666 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -1.616 1.334 -0.428 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -1.627 0.055 -1.011 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -0.559 -0.301 -1.849 0.00 0.00 +0.015 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.584 3.584 -0.039 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -1.695 4.435 -0.154 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -1.700 5.700 0.441 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -0.589 6.153 1.165 0.00 0.00 +0.055 A ATOM 11 C LIG 1 0.520 5.306 1.293 0.00 0.00 +0.013 A ATOM 12 C LIG 1 0.522 4.041 0.695 0.00 0.00 +0.009 A BRANCH 10 13 ATOM 13 C LIG 1 -0.602 7.508 1.827 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -1.115 7.465 3.087 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -1.350 8.426 1.151 0.00 0.00 -0.166 F ATOM 16 F LIG 1 0.638 8.059 1.947 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 5 17 ATOM 17 C LIG 1 -2.728 -0.886 -0.748 0.00 0.00 -0.018 A ATOM 18 C LIG 1 -2.477 -2.170 -0.243 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -3.524 -3.066 0.007 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -4.858 -2.708 -0.238 0.00 0.00 -0.018 A ATOM 21 C LIG 1 -5.108 -1.423 -0.743 0.00 0.00 +0.009 A ATOM 22 C LIG 1 -4.061 -0.527 -0.993 0.00 0.00 +0.009 A BRANCH 20 23 ATOM 23 C LIG 1 -5.958 -3.649 0.025 0.00 0.00 -0.018 A ATOM 24 C LIG 1 -7.044 -3.284 0.839 0.00 0.00 +0.008 A ATOM 25 C LIG 1 -8.089 -4.177 1.090 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -8.067 -5.451 0.530 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -7.001 -5.834 -0.280 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -5.956 -4.940 -0.529 0.00 0.00 +0.008 A ENDBRANCH 20 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 C LIG 1 1.622 0.171 -3.026 0.00 0.00 +0.264 C BRANCH 29 30 ATOM 30 O LIG 1 2.873 0.796 -2.720 0.00 0.00 -0.487 OA BRANCH 30 36 ATOM 31 C LIG 1 3.806 -2.365 1.015 0.00 0.00 +0.047 C ATOM 32 C LIG 1 4.225 -1.274 0.067 0.00 0.00 -0.005 A ATOM 33 C LIG 1 5.521 -0.732 0.128 0.00 0.00 +0.124 A ATOM 34 C LIG 1 5.878 0.289 -0.754 0.00 0.00 +0.049 A ATOM 35 C LIG 1 4.955 0.765 -1.690 0.00 0.00 +0.049 A ATOM 36 C LIG 1 3.670 0.228 -1.766 0.00 0.00 +0.121 A ATOM 37 C LIG 1 3.307 -0.786 -0.881 0.00 0.00 +0.052 A BRANCH 33 38 ATOM 38 O LIG 1 6.343 -1.270 1.082 0.00 0.00 -0.481 OA BRANCH 38 39 ATOM 39 C LIG 1 7.661 -0.748 1.185 0.00 0.00 +0.349 C BRANCH 39 40 ATOM 40 C LIG 1 8.420 -1.462 2.288 0.00 0.00 +0.343 C ATOM 41 O LIG 1 8.029 -2.360 3.015 0.00 0.00 -0.247 OA BRANCH 40 42 ATOM 42 O LIG 1 9.680 -0.990 2.421 0.00 0.00 -0.478 OA ATOM 43 H LIG 1 10.050 -1.528 3.154 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 33 38 ENDBRANCH 30 36 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 11