REMARK Name = BDB025853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.814 0.868 -0.084 0.00 0.00 +0.022 A ATOM 2 C LIG 1 1.233 2.127 -0.284 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.007 3.221 -0.363 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.147 2.304 -0.388 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.018 1.219 -0.284 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.448 -0.069 -0.114 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.941 -0.232 -0.008 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.406 1.367 -0.329 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.039 2.185 -1.379 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.830 3.424 -0.862 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -2.933 4.656 -0.681 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.620 3.213 0.377 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -5.852 2.474 0.100 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.801 2.529 1.399 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.139 1.216 0.942 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.974 0.354 0.241 0.00 0.00 +0.318 A ATOM 17 N LIG 1 5.529 1.211 -0.686 0.00 0.00 -0.203 NA ATOM 18 C LIG 1 4.189 1.358 -0.765 0.00 0.00 +0.126 A ATOM 19 C LIG 1 3.270 0.692 0.029 0.00 0.00 +0.021 A ATOM 20 C LIG 1 3.865 -0.163 0.944 0.00 0.00 +0.126 A ATOM 21 N LIG 1 5.197 -0.353 1.074 0.00 0.00 -0.203 NA BRANCH 16 22 ATOM 22 O LIG 1 7.343 0.222 0.286 0.00 0.00 -0.460 OA BRANCH 22 24 ATOM 23 C LIG 1 9.259 -0.192 1.623 0.00 0.00 +0.052 C ATOM 24 C LIG 1 7.841 -0.658 1.297 0.00 0.00 +0.171 C ATOM 25 C LIG 1 7.875 -2.093 0.775 0.00 0.00 +0.052 C ENDBRANCH 22 24 ENDBRANCH 16 22 ENDBRANCH 1 19 BRANCH 6 26 ATOM 26 N LIG 1 -1.354 -1.154 -0.133 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -2.300 -0.855 -0.355 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -1.091 -2.485 0.074 0.00 0.00 +0.250 C ATOM 29 O LIG 1 -0.027 -2.986 0.413 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -2.302 -3.348 -0.076 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -3.080 -3.476 -1.306 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -4.142 -4.306 -1.329 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -4.526 -5.082 -0.124 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -5.501 -5.821 -0.131 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -3.721 -4.910 0.974 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -3.967 -5.459 1.791 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -2.632 -4.076 1.003 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -2.658 -2.711 -2.522 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -2.907 -1.385 -2.370 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -3.330 -3.099 -3.637 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.340 -2.849 -2.796 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 6 26 TORSDOF 7