REMARK Name = BDB044836 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.085 2.569 0.121 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.780 3.046 -1.166 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.565 2.671 -1.755 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.626 1.864 -1.123 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.556 1.743 -2.065 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.835 2.392 -3.205 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.926 1.388 0.167 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.030 2.956 -2.979 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.438 3.521 -3.714 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.140 1.756 0.768 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.942 -1.720 -0.073 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.861 -0.321 -0.135 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.346 0.439 0.919 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.427 1.917 1.178 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.376 2.945 0.811 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.131 2.017 2.512 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.374 0.724 2.941 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.842 0.518 3.809 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.417 3.055 3.083 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.698 2.897 0.072 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.924 -0.219 2.014 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.023 -1.590 2.110 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.520 -2.347 1.047 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.448 -3.784 -1.154 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.427 -2.362 -1.167 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -0.673 1.020 -1.915 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -1.351 0.822 -0.772 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -2.620 0.085 -0.689 0.00 0.00 -0.020 A ATOM 29 C LIG 1 -2.861 -0.723 0.427 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -4.067 -1.414 0.550 0.00 0.00 +0.131 A ATOM 31 F LIG 1 -4.246 -2.198 1.623 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -5.067 -1.314 -0.417 0.00 0.00 +0.037 A ATOM 33 C LIG 1 -4.821 -0.495 -1.518 0.00 0.00 +0.131 A ATOM 34 F LIG 1 -5.756 -0.359 -2.470 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -3.621 0.203 -1.659 0.00 0.00 +0.046 A BRANCH 32 36 ATOM 36 C LIG 1 -6.371 -2.051 -0.266 0.00 0.00 +0.125 C BRANCH 36 37 ATOM 37 N LIG 1 -7.297 -1.410 0.681 0.00 0.00 -0.294 NA ATOM 38 C LIG 1 -8.430 -2.297 1.025 0.00 0.00 +0.113 C ATOM 39 C LIG 1 -9.724 -1.963 0.266 0.00 0.00 +0.175 C ATOM 40 O LIG 1 -10.187 -0.627 0.504 0.00 0.00 -0.377 OA ATOM 41 C LIG 1 -9.128 0.286 0.825 0.00 0.00 +0.175 C ATOM 42 C LIG 1 -7.792 -0.108 0.177 0.00 0.00 +0.113 C ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6