REMARK Name = BDB027490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.377 -0.206 1.359 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.600 -0.914 0.643 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.175 -2.098 0.035 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.087 -2.592 0.065 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.026 -1.874 0.719 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.698 -0.694 1.383 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.397 -2.424 0.682 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.534 -1.595 0.702 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.816 -2.142 0.664 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -6.876 -1.322 0.687 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.997 -3.516 0.601 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.232 -4.035 0.566 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.899 -4.362 0.569 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.610 -3.818 0.607 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.916 -0.446 0.584 0.00 0.00 -0.324 N ATOM 16 C LIG 1 2.501 0.004 -0.730 0.00 0.00 +0.092 C ATOM 17 C LIG 1 3.749 -0.844 -1.144 0.00 0.00 +0.071 C ATOM 18 C LIG 1 4.804 -0.869 -0.021 0.00 0.00 +0.022 C ATOM 19 C LIG 1 4.230 -0.656 1.379 0.00 0.00 +0.020 C ATOM 20 C LIG 1 2.806 -1.177 1.500 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 3.410 -2.212 -1.567 0.00 0.00 -0.326 NA ATOM 22 H LIG 1 3.096 -2.755 -0.766 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 4.250 -2.682 -1.906 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 16 24 ATOM 24 C LIG 1 1.467 0.181 -1.864 0.00 0.00 +0.051 C BRANCH 24 25 ATOM 25 C LIG 1 2.035 0.883 -3.093 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 O LIG 1 0.994 1.153 -4.026 0.00 0.00 -0.395 OA ATOM 27 H LIG 1 0.539 0.312 -4.209 0.00 0.00 +0.209 HD ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 16 24 ENDBRANCH 2 15 BRANCH 1 28 ATOM 28 C LIG 1 -0.067 1.081 2.085 0.00 0.00 +0.161 C BRANCH 28 33 ATOM 29 C LIG 1 -1.449 4.668 -0.864 0.00 0.00 +0.147 A ATOM 30 C LIG 1 -0.551 3.873 -0.131 0.00 0.00 +0.147 A ATOM 31 N LIG 1 0.823 3.906 0.010 0.00 0.00 -0.231 NA ATOM 32 C LIG 1 1.096 2.915 0.831 0.00 0.00 +0.202 A ATOM 33 N LIG 1 -0.028 2.220 1.191 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -1.101 2.838 0.611 0.00 0.00 +0.166 A ATOM 35 N LIG 1 -2.402 2.517 0.721 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 -3.161 3.342 -0.029 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -2.768 4.374 -0.807 0.00 0.00 -0.219 NA BRANCH 29 38 ATOM 38 N LIG 1 -1.046 5.732 -1.663 0.00 0.00 -0.341 N ATOM 39 H LIG 1 -1.725 5.925 -2.389 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 -0.075 5.660 -1.947 0.00 0.00 +0.144 HD ENDBRANCH 29 38 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 9