REMARK Name = BDB026310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.468 -1.674 0.190 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.834 -0.647 0.942 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.487 -0.285 0.661 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.193 -0.906 -0.382 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.540 -1.889 -1.136 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.167 -2.486 -2.163 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.768 -2.275 -0.858 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.952 -5.087 1.209 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.654 -3.652 0.760 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.418 -3.174 -0.427 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.864 -4.213 -1.350 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.676 -2.127 -1.171 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.795 -1.220 -0.285 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.805 -2.005 0.499 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.117 -3.447 0.619 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.598 -0.538 -0.665 0.00 0.00 -0.024 C ATOM 17 C LIG 1 2.904 0.925 -0.942 0.00 0.00 +0.142 C ATOM 18 N LIG 1 4.360 1.179 -0.887 0.00 0.00 -0.310 N ATOM 19 C LIG 1 5.154 0.186 -1.629 0.00 0.00 +0.111 C ATOM 20 C LIG 1 4.981 -1.191 -0.976 0.00 0.00 +0.046 C ATOM 21 C LIG 1 3.546 -1.495 -0.656 0.00 0.00 -0.020 C BRANCH 18 22 ATOM 22 C LIG 1 4.669 2.509 -1.241 0.00 0.00 +0.126 A ATOM 23 N LIG 1 5.343 2.769 -2.374 0.00 0.00 -0.204 NA ATOM 24 C LIG 1 5.610 4.062 -2.644 0.00 0.00 +0.234 A ATOM 25 N LIG 1 5.267 5.119 -1.888 0.00 0.00 -0.227 NA ATOM 26 C LIG 1 4.614 4.820 -0.756 0.00 0.00 +0.117 A ATOM 27 C LIG 1 4.295 3.533 -0.388 0.00 0.00 +0.063 A BRANCH 24 28 ATOM 28 C LIG 1 6.337 4.332 -3.857 0.00 0.00 +0.140 C ATOM 29 N LIG 1 6.928 4.541 -4.838 0.00 0.00 -0.188 NA ENDBRANCH 24 28 ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 2 30 ATOM 30 N LIG 1 -1.626 -0.103 1.975 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.483 -0.638 2.113 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.563 1.008 2.753 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -2.416 1.215 3.616 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -0.544 2.051 2.503 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -0.714 3.077 1.478 0.00 0.00 +0.036 A ATOM 36 C LIG 1 0.235 4.021 1.329 0.00 0.00 +0.080 A ATOM 37 C LIG 1 1.435 4.029 2.204 0.00 0.00 +0.249 A ATOM 38 O LIG 1 2.325 4.857 2.051 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 1.478 3.054 3.171 0.00 0.00 -0.328 N ATOM 40 H LIG 1 2.279 3.078 3.791 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 0.510 2.093 3.333 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -1.978 3.072 0.668 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -1.999 2.021 -0.193 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -2.072 4.185 -0.113 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7