REMARK Name = BDB050733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.555 0.230 0.123 0.00 0.00 +0.075 A ATOM 2 C LIG 1 -0.468 0.852 1.363 0.00 0.00 +0.170 A ATOM 3 F LIG 1 0.510 1.732 1.626 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -1.395 0.543 2.348 0.00 0.00 +0.159 A ATOM 5 F LIG 1 -1.301 1.112 3.558 0.00 0.00 -0.202 F ATOM 6 C LIG 1 -2.430 -0.359 2.100 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -2.559 -0.957 0.837 0.00 0.00 -0.038 A ATOM 8 C LIG 1 -1.603 -0.663 -0.148 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 9 N LIG 1 4.617 0.493 -0.483 0.00 0.00 -0.312 N ATOM 10 C LIG 1 4.046 0.227 -1.815 0.00 0.00 +0.125 C ATOM 11 C LIG 1 2.613 0.778 -1.913 0.00 0.00 +0.127 C ATOM 12 N LIG 1 1.732 0.342 -0.823 0.00 0.00 -0.294 N ATOM 13 C LIG 1 0.372 0.573 -0.965 0.00 0.00 +0.250 C ATOM 14 O LIG 1 -0.132 1.033 -1.988 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 2.390 -0.377 0.275 0.00 0.00 +0.127 C ATOM 16 C LIG 1 3.732 0.269 0.676 0.00 0.00 +0.125 C BRANCH 9 19 ATOM 17 C LIG 1 7.968 -0.596 -1.209 0.00 0.00 +0.142 A ATOM 18 N LIG 1 6.640 -0.358 -1.349 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.974 0.232 -0.333 0.00 0.00 +0.123 A ATOM 20 C LIG 1 6.652 0.606 0.830 0.00 0.00 +0.044 A ATOM 21 C LIG 1 8.018 0.356 0.962 0.00 0.00 +0.006 A ATOM 22 C LIG 1 8.694 -0.262 -0.078 0.00 0.00 +0.039 A BRANCH 17 24 ATOM 23 N LIG 1 9.159 -1.753 -3.208 0.00 0.00 -0.189 NA ATOM 24 C LIG 1 8.607 -1.234 -2.326 0.00 0.00 +0.119 C ENDBRANCH 17 24 ENDBRANCH 9 19 ENDBRANCH 1 13 BRANCH 7 25 ATOM 25 C LIG 1 -3.683 -1.925 0.543 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -5.059 -1.385 0.912 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -5.740 -0.407 0.025 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -6.990 0.056 0.433 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -7.698 0.982 -0.343 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.148 1.450 -1.535 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.898 0.992 -1.949 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -7.565 -0.440 1.694 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -8.663 -0.065 2.089 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -6.800 -1.342 2.392 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -7.183 -1.695 3.264 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.193 0.065 -1.174 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -5.578 -1.811 2.027 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 5