REMARK Name = BDB024029 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.723 0.039 1.087 0.00 0.00 +0.047 A ATOM 2 C LIG 1 0.620 -0.398 2.402 0.00 0.00 +0.134 A ATOM 3 F LIG 1 -0.442 -1.108 2.799 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.602 -0.106 3.344 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.724 0.633 2.974 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.875 1.073 1.653 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.859 0.785 0.726 0.00 0.00 +0.018 A ENDROOT BRANCH 1 11 ATOM 8 N LIG 1 -3.661 -0.186 0.236 0.00 0.00 -0.314 N ATOM 9 C LIG 1 -2.839 -1.132 1.020 0.00 0.00 +0.114 C ATOM 10 C LIG 1 -1.619 -1.635 0.267 0.00 0.00 +0.093 C ATOM 11 P LIG 1 -0.502 -0.285 -0.141 0.00 0.00 +0.122 P ATOM 12 O LIG 1 0.069 -0.506 -1.523 0.00 0.00 -0.316 OA ATOM 13 C LIG 1 -1.623 1.133 -0.185 0.00 0.00 +0.093 C ATOM 14 C LIG 1 -2.962 0.684 -0.737 0.00 0.00 +0.114 C BRANCH 8 16 ATOM 15 C LIG 1 -5.961 -0.097 -0.631 0.00 0.00 +0.057 A ATOM 16 C LIG 1 -4.771 -0.801 -0.391 0.00 0.00 +0.132 A ATOM 17 N LIG 1 -4.628 -2.081 -0.816 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 -5.636 -2.650 -1.516 0.00 0.00 +0.113 A ATOM 19 C LIG 1 -6.818 -2.005 -1.826 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -6.982 -0.704 -1.372 0.00 0.00 +0.016 A BRANCH 15 22 ATOM 21 C LIG 1 -5.806 1.603 1.297 0.00 0.00 +0.092 C ATOM 22 C LIG 1 -6.219 1.265 -0.112 0.00 0.00 +0.163 C ATOM 23 O LIG 1 -6.797 2.081 -0.828 0.00 0.00 -0.292 OA ENDBRANCH 15 22 ENDBRANCH 8 16 ENDBRANCH 1 11 BRANCH 6 24 ATOM 24 C LIG 1 4.085 1.899 1.270 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 4.644 1.593 -0.114 0.00 0.00 +0.074 A ATOM 26 C LIG 1 5.410 0.343 -0.348 0.00 0.00 +0.011 A ATOM 27 C LIG 1 5.889 0.124 -1.638 0.00 0.00 +0.050 A ATOM 28 C LIG 1 6.620 -1.031 -1.943 0.00 0.00 +0.014 A ATOM 29 C LIG 1 6.872 -1.973 -0.947 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.397 -1.760 0.346 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.622 1.125 -2.684 0.00 0.00 +0.272 A ATOM 32 O LIG 1 6.036 0.981 -3.829 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 4.895 2.224 -2.296 0.00 0.00 -0.242 N ATOM 34 H LIG 1 4.694 2.920 -3.007 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 5.668 -0.606 0.649 0.00 0.00 +0.010 A ATOM 36 N LIG 1 4.413 2.468 -1.049 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 5