REMARK Name = BDB035559 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.825 -0.151 0.641 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -1.527 -0.450 0.179 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.831 0.369 -0.719 0.00 0.00 +0.039 A ATOM 4 C LIG 1 -1.457 1.550 -1.143 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -2.735 1.923 -0.699 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -3.403 1.043 0.156 0.00 0.00 +0.027 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.467 0.024 -1.187 0.00 0.00 -0.263 N ATOM 8 C LIG 1 1.142 -1.180 -0.962 0.00 0.00 +0.251 C ATOM 9 O LIG 1 0.793 -2.199 -0.395 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.466 -1.051 -1.585 0.00 0.00 +0.043 A ATOM 11 C LIG 1 3.505 -1.962 -1.601 0.00 0.00 +0.018 A ATOM 12 C LIG 1 4.692 -1.595 -2.254 0.00 0.00 -0.032 A ATOM 13 C LIG 1 4.779 -0.327 -2.878 0.00 0.00 +0.017 A ATOM 14 C LIG 1 3.709 0.587 -2.856 0.00 0.00 +0.061 A ATOM 15 C LIG 1 2.551 0.197 -2.188 0.00 0.00 -0.006 A ATOM 16 C LIG 1 1.268 0.937 -1.993 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 3.802 1.933 -3.522 0.00 0.00 +0.418 C ATOM 18 F LIG 1 3.637 2.956 -2.640 0.00 0.00 -0.166 F ATOM 19 F LIG 1 2.839 2.100 -4.470 0.00 0.00 -0.166 F ATOM 20 F LIG 1 4.990 2.158 -4.146 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 5.869 -2.544 -2.281 0.00 0.00 +0.116 C BRANCH 21 22 ATOM 22 N LIG 1 6.524 -2.727 -0.987 0.00 0.00 -0.307 NA ATOM 23 H LIG 1 5.840 -3.047 -0.303 0.00 0.00 +0.123 HD BRANCH 22 24 ATOM 24 C LIG 1 7.388 -1.617 -0.538 0.00 0.00 +0.017 C ATOM 25 C LIG 1 8.071 -2.103 0.779 0.00 0.00 +0.022 C ATOM 26 C LIG 1 6.917 -1.471 1.579 0.00 0.00 +0.004 C ATOM 27 C LIG 1 6.590 -0.614 0.340 0.00 0.00 +0.022 C ATOM 28 C LIG 1 8.370 -1.081 -1.560 0.00 0.00 +0.027 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 1 31 ATOM 29 C LIG 1 -3.805 -1.745 3.724 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -2.843 -2.097 2.567 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -3.630 -1.102 1.650 0.00 0.00 +0.060 C ATOM 32 C LIG 1 -4.095 -0.422 2.987 0.00 0.00 +0.051 C BRANCH 31 33 ATOM 33 C LIG 1 -4.815 -1.826 0.877 0.00 0.00 +0.144 A ATOM 34 N LIG 1 -4.725 -2.650 -0.213 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -3.543 -3.071 -0.914 0.00 0.00 +0.151 C ATOM 36 C LIG 1 -6.002 -3.013 -0.514 0.00 0.00 +0.224 A ATOM 37 N LIG 1 -6.830 -2.460 0.340 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -6.083 -1.710 1.218 0.00 0.00 -0.134 NA ENDBRANCH 31 33 BRANCH 29 40 ATOM 39 C LIG 1 -2.984 -2.818 5.736 0.00 0.00 +0.194 C ATOM 40 O LIG 1 -3.200 -1.606 5.028 0.00 0.00 -0.380 OA ENDBRANCH 29 40 ENDBRANCH 1 31 BRANCH 5 41 ATOM 41 N LIG 1 -3.311 3.075 -1.237 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -2.619 3.779 -1.482 0.00 0.00 +0.146 HD BRANCH 41 43 ATOM 43 C LIG 1 -4.548 3.644 -0.704 0.00 0.00 +0.070 C ATOM 44 C LIG 1 -4.322 4.334 0.651 0.00 0.00 +0.022 C ATOM 45 C LIG 1 -4.481 5.826 0.389 0.00 0.00 +0.002 C ATOM 46 C LIG 1 -5.495 5.881 -0.737 0.00 0.00 +0.002 C ATOM 47 C LIG 1 -5.054 4.747 -1.650 0.00 0.00 +0.022 C ENDBRANCH 41 43 ENDBRANCH 5 41 TORSDOF 10