REMARK Name = BDB024022 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.804 -1.810 0.082 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.737 -1.191 0.753 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -0.559 -0.828 0.080 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -0.465 -1.117 -1.277 0.00 0.00 +0.134 A ATOM 5 F LIG 1 0.643 -0.796 -1.955 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -1.501 -1.745 -1.961 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -2.668 -2.093 -1.283 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 P LIG 1 0.737 -0.034 0.974 0.00 0.00 +0.122 P ATOM 9 C LIG 1 1.375 1.391 0.087 0.00 0.00 +0.093 C ATOM 10 C LIG 1 2.847 1.563 0.413 0.00 0.00 +0.114 C ATOM 11 N LIG 1 3.624 0.462 -0.171 0.00 0.00 -0.314 N ATOM 12 C LIG 1 3.152 -0.923 -0.045 0.00 0.00 +0.114 C ATOM 13 C LIG 1 2.174 -1.107 1.098 0.00 0.00 +0.093 C ATOM 14 O LIG 1 0.327 0.393 2.367 0.00 0.00 -0.316 OA BRANCH 11 15 ATOM 15 C LIG 1 5.008 0.665 -0.170 0.00 0.00 +0.121 A ATOM 16 N LIG 1 5.523 1.683 0.555 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 6.862 1.885 0.546 0.00 0.00 +0.125 A ATOM 18 C LIG 1 7.759 1.114 -0.171 0.00 0.00 +0.073 A ATOM 19 C LIG 1 7.228 0.083 -0.941 0.00 0.00 +0.017 A ATOM 20 C LIG 1 5.850 -0.139 -0.940 0.00 0.00 +0.044 A BRANCH 18 21 ATOM 21 C LIG 1 9.220 1.430 -0.133 0.00 0.00 +0.419 C ATOM 22 F LIG 1 9.548 2.475 -0.942 0.00 0.00 -0.166 F ATOM 23 F LIG 1 9.658 1.770 1.111 0.00 0.00 -0.166 F ATOM 24 F LIG 1 10.005 0.390 -0.531 0.00 0.00 -0.166 F ENDBRANCH 18 21 ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 -4.064 -2.188 0.828 0.00 0.00 +0.093 C BRANCH 25 33 ATOM 26 O LIG 1 -8.650 -0.203 -1.554 0.00 0.00 -0.266 OA ATOM 27 C LIG 1 -7.630 -0.587 -0.994 0.00 0.00 +0.272 A ATOM 28 C LIG 1 -6.840 0.310 -0.135 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -5.687 -0.176 0.480 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -4.940 0.676 1.302 0.00 0.00 +0.010 A ATOM 31 C LIG 1 -5.349 2.000 1.498 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.502 2.479 0.878 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.324 -1.592 0.213 0.00 0.00 +0.074 A ATOM 34 N LIG 1 -6.034 -2.373 -0.548 0.00 0.00 -0.175 NA ATOM 35 C LIG 1 -7.251 1.635 0.060 0.00 0.00 +0.014 A ATOM 36 N LIG 1 -7.157 -1.869 -1.125 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -7.692 -2.502 -1.711 0.00 0.00 +0.192 HD ENDBRANCH 25 33 ENDBRANCH 1 25 TORSDOF 5