REMARK Name = BDB025625 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.982 -0.085 -0.481 0.00 0.00 +0.022 A ATOM 2 C LIG 1 1.655 1.176 -1.001 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.627 2.007 -1.411 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.337 1.619 -1.119 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.721 0.804 -0.719 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.415 -0.479 -0.198 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.913 -0.905 -0.076 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.071 1.192 -0.788 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -2.583 1.703 -2.079 0.00 0.00 +0.120 C ATOM 10 C LIG 1 -2.559 3.244 -2.209 0.00 0.00 +0.103 C ATOM 11 N LIG 1 -3.121 3.941 -1.036 0.00 0.00 -0.302 NA ATOM 12 C LIG 1 -3.010 5.390 -1.190 0.00 0.00 +0.105 C ATOM 13 C LIG 1 -2.429 3.490 0.188 0.00 0.00 +0.103 C ATOM 14 C LIG 1 -2.540 1.964 0.390 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 18 ATOM 15 C LIG 1 5.965 -1.385 -0.141 0.00 0.00 +0.318 A ATOM 16 N LIG 1 5.700 -0.114 0.197 0.00 0.00 -0.203 NA ATOM 17 C LIG 1 4.411 0.274 0.076 0.00 0.00 +0.126 A ATOM 18 C LIG 1 3.376 -0.537 -0.362 0.00 0.00 +0.021 A ATOM 19 C LIG 1 3.790 -1.821 -0.677 0.00 0.00 +0.126 A ATOM 20 N LIG 1 5.061 -2.268 -0.581 0.00 0.00 -0.203 NA BRANCH 15 21 ATOM 21 O LIG 1 7.251 -1.870 -0.065 0.00 0.00 -0.463 OA BRANCH 21 23 ATOM 22 C LIG 1 8.798 -0.088 -0.632 0.00 0.00 +0.048 C ATOM 23 C LIG 1 8.208 -0.958 0.466 0.00 0.00 +0.229 C ENDBRANCH 21 23 ENDBRANCH 15 21 ENDBRANCH 1 18 BRANCH 6 24 ATOM 24 N LIG 1 -1.529 -1.271 0.157 0.00 0.00 -0.280 N ATOM 25 H LIG 1 -2.409 -0.788 -0.019 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 -1.541 -2.567 0.607 0.00 0.00 +0.250 C ATOM 27 O LIG 1 -0.582 -3.305 0.786 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -2.922 -3.082 0.828 0.00 0.00 +0.065 A ATOM 29 C LIG 1 -3.789 -2.642 1.915 0.00 0.00 +0.073 A ATOM 30 C LIG 1 -5.018 -3.183 2.035 0.00 0.00 +0.083 A ATOM 31 C LIG 1 -5.490 -4.213 1.076 0.00 0.00 +0.249 A ATOM 32 O LIG 1 -6.609 -4.697 1.168 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 -4.594 -4.571 0.100 0.00 0.00 -0.328 N ATOM 34 H LIG 1 -4.908 -5.289 -0.545 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 -3.338 -4.031 -0.025 0.00 0.00 +0.099 A BRANCH 29 36 ATOM 36 C LIG 1 -3.274 -1.626 2.886 0.00 0.00 +0.418 C ATOM 37 F LIG 1 -2.063 -1.954 3.395 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -3.151 -0.406 2.305 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -4.107 -1.457 3.947 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 6 24 TORSDOF 7