REMARK Name = BDB009534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.577 -1.482 0.668 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.561 -1.026 -0.156 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.573 -1.767 0.110 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.163 -2.651 1.098 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.949 -3.584 1.653 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.177 -3.580 1.136 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.680 -2.758 0.174 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.887 -1.806 -0.358 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.143 -2.462 1.434 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 3.760 -3.049 -0.569 0.00 0.00 +0.044 C ATOM 11 C LIG 1 3.995 -1.702 0.062 0.00 0.00 -0.040 A ATOM 12 C LIG 1 2.951 -0.977 0.664 0.00 0.00 +0.020 A ATOM 13 C LIG 1 3.232 0.253 1.271 0.00 0.00 +0.012 A ATOM 14 C LIG 1 4.531 0.769 1.266 0.00 0.00 +0.004 A ATOM 15 C LIG 1 5.591 0.071 0.673 0.00 0.00 -0.044 A ATOM 16 C LIG 1 5.296 -1.165 0.073 0.00 0.00 +0.008 A BRANCH 15 17 ATOM 17 C LIG 1 6.992 0.634 0.659 0.00 0.00 +0.019 C ATOM 18 C LIG 1 7.661 1.032 1.955 0.00 0.00 +0.009 C ATOM 19 C LIG 1 8.140 -0.178 1.213 0.00 0.00 +0.009 C ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 6 20 ATOM 20 C LIG 1 -3.166 -4.591 1.653 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -2.973 -5.416 2.528 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 -4.357 -4.465 0.999 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 -4.281 -3.745 0.329 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 -2.390 -0.955 -1.329 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -1.866 -0.099 -1.438 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.837 -0.723 -1.390 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -4.176 -0.341 -2.834 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -4.238 0.426 -0.460 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -5.759 0.703 -0.289 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -5.448 1.089 1.171 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -4.221 0.161 1.073 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 0.719 -0.010 -1.189 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 0.034 1.306 -0.881 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.276 2.160 -1.952 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -0.920 3.381 -1.735 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -1.268 3.782 -0.439 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.933 2.948 0.635 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.287 1.727 0.418 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -1.952 5.106 -0.199 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -1.066 6.110 0.042 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.795 5.082 0.871 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.706 5.516 -1.256 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 10