REMARK Name = BDB024020 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.539 1.194 -0.361 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.256 0.806 -0.776 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -0.112 1.183 -0.056 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -0.276 1.973 1.077 0.00 0.00 +0.134 A ATOM 5 F LIG 1 0.796 2.353 1.782 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -1.536 2.385 1.499 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -2.666 1.998 0.780 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 P LIG 1 1.482 0.657 -0.593 0.00 0.00 +0.122 P ATOM 9 C LIG 1 2.475 2.100 -1.019 0.00 0.00 +0.093 C ATOM 10 C LIG 1 3.935 1.694 -1.101 0.00 0.00 +0.114 C ATOM 11 N LIG 1 4.450 1.187 0.183 0.00 0.00 -0.314 N ATOM 12 C LIG 1 3.499 0.859 1.256 0.00 0.00 +0.114 C ATOM 13 C LIG 1 2.413 -0.080 0.762 0.00 0.00 +0.093 C ATOM 14 O LIG 1 1.447 -0.292 -1.770 0.00 0.00 -0.316 OA BRANCH 11 15 ATOM 15 C LIG 1 5.604 0.390 0.118 0.00 0.00 +0.126 A ATOM 16 N LIG 1 5.720 -0.663 0.949 0.00 0.00 -0.221 NA ATOM 17 C LIG 1 6.833 -1.411 0.879 0.00 0.00 +0.224 A ATOM 18 N LIG 1 7.862 -1.209 0.060 0.00 0.00 -0.224 NA ATOM 19 C LIG 1 7.720 -0.146 -0.739 0.00 0.00 +0.134 A ATOM 20 CL LIG 1 9.051 0.133 -1.789 0.00 0.00 -0.062 Cl ATOM 21 C LIG 1 6.628 0.688 -0.760 0.00 0.00 +0.083 A ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 22 ATOM 22 C LIG 1 -3.760 0.774 -1.149 0.00 0.00 +0.093 C BRANCH 22 30 ATOM 23 O LIG 1 -7.574 -1.726 1.990 0.00 0.00 -0.266 OA ATOM 24 C LIG 1 -6.703 -1.231 1.285 0.00 0.00 +0.272 A ATOM 25 C LIG 1 -5.560 -2.024 0.803 0.00 0.00 +0.050 A ATOM 26 C LIG 1 -4.595 -1.412 0.005 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -3.513 -2.169 -0.460 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -3.404 -3.521 -0.118 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -4.372 -4.125 0.683 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.787 0.029 -0.304 0.00 0.00 +0.074 A ATOM 31 N LIG 1 -5.804 0.716 0.129 0.00 0.00 -0.175 NA ATOM 32 C LIG 1 -5.453 -3.378 1.145 0.00 0.00 +0.014 A ATOM 33 N LIG 1 -6.731 0.086 0.897 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -7.514 0.647 1.218 0.00 0.00 +0.192 HD ENDBRANCH 22 30 ENDBRANCH 1 22 TORSDOF 4