REMARK Name = BDB026128 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.098 -0.413 -0.085 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.530 -1.634 -0.477 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.306 -2.716 -0.644 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.841 -1.787 -0.690 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.710 -0.711 -0.516 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.157 0.535 -0.127 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.222 0.673 0.084 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.102 -0.800 -0.689 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.618 -1.346 -1.956 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.936 -2.871 -1.925 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.659 -3.209 -3.241 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.724 -3.294 -0.727 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -4.907 -4.751 -0.698 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.054 -2.806 0.518 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.855 -3.142 1.787 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.842 -1.267 0.500 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.267 0.019 0.571 0.00 0.00 +0.218 A ATOM 18 N LIG 1 4.409 0.614 1.414 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 3.085 0.461 1.183 0.00 0.00 +0.124 A ATOM 20 C LIG 1 2.544 -0.267 0.142 0.00 0.00 +0.021 A ATOM 21 C LIG 1 3.511 -0.840 -0.659 0.00 0.00 +0.124 A ATOM 22 N LIG 1 4.845 -0.714 -0.472 0.00 0.00 -0.222 NA BRANCH 17 28 ATOM 23 C LIG 1 9.841 -0.102 -1.257 0.00 0.00 +0.039 C ATOM 24 C LIG 1 8.963 -0.015 -0.017 0.00 0.00 +0.133 C ATOM 25 O LIG 1 9.282 1.219 0.656 0.00 0.00 -0.374 OA ATOM 26 C LIG 1 8.514 1.333 1.864 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.005 1.334 1.579 0.00 0.00 +0.136 C ATOM 28 N LIG 1 6.638 0.138 0.805 0.00 0.00 -0.295 N ATOM 29 C LIG 1 7.467 -0.073 -0.393 0.00 0.00 +0.139 C ENDBRANCH 17 28 ENDBRANCH 1 20 BRANCH 6 30 ATOM 30 N LIG 1 -2.077 1.599 0.004 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.028 1.307 -0.220 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.815 2.915 0.296 0.00 0.00 +0.249 C ATOM 33 O LIG 1 -0.731 3.443 0.501 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.014 3.781 0.310 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -4.012 3.659 1.293 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -5.123 4.518 1.221 0.00 0.00 +0.051 A ATOM 37 C LIG 1 -5.209 5.476 0.214 0.00 0.00 +0.124 A ATOM 38 F LIG 1 -6.275 6.285 0.167 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -4.207 5.609 -0.738 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -3.101 4.762 -0.690 0.00 0.00 +0.016 A BRANCH 35 41 ATOM 41 C LIG 1 -3.916 2.642 2.396 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.688 2.566 2.971 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.215 1.389 1.958 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.785 2.884 3.418 0.00 0.00 -0.166 F ENDBRANCH 35 41 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6