REMARK Name = BDB024440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.402 -1.178 0.836 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.330 -2.614 1.327 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.942 -2.968 2.541 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.881 -4.280 3.012 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.203 -5.254 2.282 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.582 -4.916 1.082 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.642 -3.605 0.608 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.752 -0.446 -0.057 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.358 -0.864 -0.893 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.039 -0.463 1.070 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.252 0.013 2.165 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.554 1.056 -0.807 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.739 0.431 -1.745 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.498 -0.056 -1.487 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 2.027 0.078 -0.230 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.763 0.684 0.777 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.038 1.177 0.483 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 8.777 3.667 -0.888 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.733 2.716 -1.183 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.889 1.858 -2.206 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.759 1.147 -2.193 0.00 0.00 +0.143 A ATOM 22 C LIG 1 5.873 1.544 -1.163 0.00 0.00 +0.021 A ATOM 23 C LIG 1 6.544 2.570 -0.529 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -1.790 -1.054 -0.601 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.800 -0.054 -0.827 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.123 -1.610 -0.917 0.00 0.00 +0.099 C BRANCH 26 27 ATOM 27 C LIG 1 -4.338 -0.925 -0.249 0.00 0.00 +0.137 C BRANCH 27 28 ATOM 28 C LIG 1 -4.374 0.581 -0.493 0.00 0.00 -0.035 A ATOM 29 C LIG 1 -4.348 1.462 0.600 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -4.370 2.846 0.402 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -4.419 3.370 -0.892 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -4.447 2.502 -1.986 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.426 1.119 -1.788 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -4.443 4.789 -1.095 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -4.461 5.938 -1.258 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 BRANCH 27 36 ATOM 36 C LIG 1 -5.621 -1.623 -0.705 0.00 0.00 +0.398 C ATOM 37 F LIG 1 -5.784 -1.573 -2.045 0.00 0.00 -0.170 F ATOM 38 F LIG 1 -6.715 -1.071 -0.133 0.00 0.00 -0.170 F ATOM 39 F LIG 1 -5.607 -2.929 -0.350 0.00 0.00 -0.170 F ENDBRANCH 27 36 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10