REMARK Name = BDB025700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.608 0.404 -0.423 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -1.160 -0.863 -0.087 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.268 -1.882 0.255 0.00 0.00 +0.064 A ATOM 4 C LIG 1 1.107 -1.647 0.311 0.00 0.00 +0.133 A ATOM 5 F LIG 1 1.897 -2.678 0.650 0.00 0.00 -0.205 F ATOM 6 C LIG 1 1.666 -0.396 0.027 0.00 0.00 +0.022 A ATOM 7 C LIG 1 0.775 0.626 -0.342 0.00 0.00 +0.036 A ENDROOT BRANCH 2 8 ATOM 8 N LIG 1 -2.553 -1.043 -0.103 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.131 -2.338 -0.501 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.444 -3.292 0.694 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.205 -4.499 0.121 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.194 -2.628 1.805 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -4.373 -3.540 2.942 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.473 -1.384 2.217 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.212 -0.612 3.322 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.277 -0.411 1.021 0.00 0.00 +0.123 C ENDBRANCH 2 8 BRANCH 6 17 ATOM 17 C LIG 1 3.115 -0.158 0.097 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.812 0.606 -0.819 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.144 0.839 -0.778 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.846 0.293 0.225 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.267 -0.464 1.170 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.933 -0.671 1.084 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.202 0.538 0.309 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.915 0.999 -0.886 0.00 0.00 +0.136 C ATOM 25 C LIG 1 9.077 0.044 -1.206 0.00 0.00 +0.179 C ATOM 26 O LIG 1 10.029 -0.094 -0.138 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.455 0.092 1.166 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.968 -0.287 1.245 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 6 17 BRANCH 1 30 ATOM 29 C LIG 1 -1.279 2.687 -1.266 0.00 0.00 +0.252 C ATOM 30 N LIG 1 -1.517 1.386 -0.882 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.469 1.035 -0.981 0.00 0.00 +0.155 HD ATOM 32 O LIG 1 -0.179 3.234 -1.241 0.00 0.00 -0.270 OA BRANCH 29 34 ATOM 33 C LIG 1 -3.759 2.973 -1.959 0.00 0.00 +0.132 A ATOM 34 C LIG 1 -2.467 3.492 -1.726 0.00 0.00 +0.079 A ATOM 35 C LIG 1 -2.238 4.866 -1.937 0.00 0.00 +0.017 A ATOM 36 C LIG 1 -3.261 5.714 -2.360 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -4.533 5.200 -2.575 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -4.782 3.840 -2.375 0.00 0.00 +0.046 A BRANCH 33 40 ATOM 39 C LIG 1 -5.169 1.057 -2.233 0.00 0.00 +0.277 C ATOM 40 O LIG 1 -3.960 1.632 -1.750 0.00 0.00 -0.494 OA ENDBRANCH 33 40 ENDBRANCH 29 34 ENDBRANCH 1 30 TORSDOF 6