REMARK Name = BDB050725 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.573 -0.580 -1.534 0.00 0.00 +0.075 A ATOM 2 C LIG 1 -0.636 -1.422 -2.636 0.00 0.00 +0.170 A ATOM 3 F LIG 1 0.212 -1.282 -3.664 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -1.571 -2.447 -2.651 0.00 0.00 +0.159 A ATOM 5 F LIG 1 -1.633 -3.286 -3.694 0.00 0.00 -0.202 F ATOM 6 C LIG 1 -2.452 -2.630 -1.584 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -2.417 -1.767 -0.478 0.00 0.00 -0.038 A ATOM 8 C LIG 1 -1.456 -0.743 -0.455 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 9 O LIG 1 0.197 1.460 -2.292 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.395 0.524 -1.524 0.00 0.00 +0.250 C ATOM 11 N LIG 1 1.446 0.476 -0.619 0.00 0.00 -0.294 N ATOM 12 C LIG 1 2.338 1.638 -0.541 0.00 0.00 +0.127 C ATOM 13 C LIG 1 3.200 1.627 0.729 0.00 0.00 +0.124 C ATOM 14 N LIG 1 4.009 0.396 0.810 0.00 0.00 -0.325 N ATOM 15 C LIG 1 3.310 -0.855 0.418 0.00 0.00 +0.124 C ATOM 16 C LIG 1 1.788 -0.666 0.243 0.00 0.00 +0.127 C BRANCH 14 17 ATOM 17 C LIG 1 5.386 0.407 0.536 0.00 0.00 +0.065 A ATOM 18 C LIG 1 6.220 -0.677 0.896 0.00 0.00 +0.144 A ATOM 19 F LIG 1 5.709 -1.746 1.529 0.00 0.00 -0.204 F ATOM 20 C LIG 1 7.593 -0.689 0.641 0.00 0.00 +0.040 A ATOM 21 C LIG 1 8.189 0.394 0.009 0.00 0.00 +0.003 A ATOM 22 C LIG 1 7.404 1.480 -0.362 0.00 0.00 +0.002 A ATOM 23 C LIG 1 6.026 1.485 -0.100 0.00 0.00 +0.026 A ENDBRANCH 14 17 ENDBRANCH 1 10 BRANCH 7 24 ATOM 24 C LIG 1 -3.363 -1.986 0.683 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -3.965 -0.702 1.238 0.00 0.00 +0.074 A ATOM 26 C LIG 1 -5.079 -0.029 0.521 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -5.576 1.146 1.081 0.00 0.00 +0.050 A ATOM 28 C LIG 1 -6.623 1.843 0.467 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -7.175 1.359 -0.719 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -6.681 0.184 -1.285 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -4.987 1.652 2.331 0.00 0.00 +0.272 A ATOM 32 O LIG 1 -5.398 2.676 2.865 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -3.958 0.910 2.858 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -3.543 1.244 3.723 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 -5.636 -0.512 -0.669 0.00 0.00 +0.010 A ATOM 36 N LIG 1 -3.448 -0.238 2.339 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 7 24 TORSDOF 4