REMARK Name = BDB034541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.990 -2.596 -0.260 0.00 0.00 +0.031 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -5.577 -3.008 2.681 0.00 0.00 +0.009 C ATOM 3 C LIG 1 -5.312 -3.210 1.189 0.00 0.00 +0.005 C ATOM 4 C LIG 1 -5.324 -1.889 0.418 0.00 0.00 +0.110 C ATOM 5 N LIG 1 -3.973 -1.355 0.623 0.00 0.00 -0.310 N ATOM 6 C LIG 1 -3.022 -2.446 0.869 0.00 0.00 +0.076 C ATOM 7 C LIG 1 -3.902 -3.717 0.919 0.00 0.00 +0.027 C BRANCH 5 8 ATOM 8 C LIG 1 -3.785 0.000 0.839 0.00 0.00 +0.143 A ATOM 9 N LIG 1 -4.631 0.841 0.296 0.00 0.00 -0.156 NA ATOM 10 N LIG 1 -4.435 2.175 0.471 0.00 0.00 -0.241 N ATOM 11 H LIG 1 -5.089 2.791 -0.001 0.00 0.00 +0.192 HD ATOM 12 C LIG 1 -3.392 2.754 1.143 0.00 0.00 +0.277 A ATOM 13 O LIG 1 -3.243 3.968 1.196 0.00 0.00 -0.266 OA ATOM 14 C LIG 1 -2.472 1.823 1.804 0.00 0.00 +0.124 A ATOM 15 C LIG 1 -2.663 0.504 1.677 0.00 0.00 +0.063 A BRANCH 14 16 ATOM 16 C LIG 1 -1.389 2.454 2.582 0.00 0.00 +0.423 C ATOM 17 F LIG 1 -0.538 3.171 1.806 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -0.613 1.514 3.196 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -1.839 3.264 3.571 0.00 0.00 -0.166 F ENDBRANCH 14 16 ENDBRANCH 5 8 ENDBRANCH 1 6 BRANCH 1 20 ATOM 20 C LIG 1 -0.969 -1.463 -0.349 0.00 0.00 +0.098 C BRANCH 20 21 ATOM 21 C LIG 1 0.126 -1.753 -1.366 0.00 0.00 +0.216 C ATOM 22 N LIG 1 1.137 -0.810 -1.464 0.00 0.00 -0.298 N ATOM 23 C LIG 1 1.210 0.419 -0.659 0.00 0.00 +0.126 C ATOM 24 C LIG 1 2.317 1.393 -1.105 0.00 0.00 +0.127 C ATOM 25 N LIG 1 3.592 0.693 -1.216 0.00 0.00 -0.297 N ATOM 26 C LIG 1 3.612 -0.643 -1.819 0.00 0.00 +0.127 C ATOM 27 C LIG 1 2.241 -1.035 -2.402 0.00 0.00 +0.126 C ATOM 28 O LIG 1 0.106 -2.770 -2.057 0.00 0.00 -0.276 OA BRANCH 25 29 ATOM 29 C LIG 1 4.755 1.430 -1.234 0.00 0.00 +0.218 A ATOM 30 N LIG 1 4.695 2.752 -0.997 0.00 0.00 -0.222 NA ATOM 31 C LIG 1 5.849 3.450 -0.997 0.00 0.00 +0.128 A ATOM 32 C LIG 1 7.077 2.887 -1.229 0.00 0.00 +0.091 A ATOM 33 C LIG 1 7.051 1.535 -1.455 0.00 0.00 +0.128 A ATOM 34 N LIG 1 5.920 0.800 -1.464 0.00 0.00 -0.222 NA BRANCH 32 35 ATOM 35 C LIG 1 8.340 3.661 -1.206 0.00 0.00 +0.420 C ATOM 36 F LIG 1 8.152 5.007 -1.288 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.056 3.454 -0.068 0.00 0.00 -0.166 F ATOM 38 F LIG 1 9.174 3.340 -2.233 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 25 29 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7