REMARK Name = BDB057460 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.060 -0.283 1.825 0.00 0.00 -0.027 A ATOM 2 C LIG 1 1.055 -1.272 1.894 0.00 0.00 +0.013 A ATOM 3 C LIG 1 2.316 -1.058 1.325 0.00 0.00 -0.002 A ATOM 4 C LIG 1 3.376 -2.131 1.314 0.00 0.00 +0.265 C ATOM 5 O LIG 1 3.518 -2.727 0.023 0.00 0.00 -0.487 OA ATOM 6 C LIG 1 4.045 -1.993 -1.011 0.00 0.00 +0.129 A ATOM 7 C LIG 1 4.268 -0.601 -1.065 0.00 0.00 +0.025 A ATOM 8 C LIG 1 3.926 0.310 0.064 0.00 0.00 -0.000 C ATOM 9 C LIG 1 4.870 1.111 0.622 0.00 0.00 +0.004 C ATOM 10 C LIG 1 6.321 1.210 0.242 0.00 0.00 +0.048 C ATOM 11 C LIG 1 4.743 -0.038 -2.266 0.00 0.00 +0.012 A ATOM 12 C LIG 1 5.034 -0.837 -3.373 0.00 0.00 +0.001 A ATOM 13 C LIG 1 4.833 -2.210 -3.306 0.00 0.00 +0.004 A ATOM 14 C LIG 1 4.334 -2.780 -2.135 0.00 0.00 +0.046 A ATOM 15 C LIG 1 2.594 0.166 0.698 0.00 0.00 -0.010 A ATOM 16 C LIG 1 1.612 1.158 0.629 0.00 0.00 +0.009 A ATOM 17 C LIG 1 0.359 0.939 1.203 0.00 0.00 +0.006 A ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 4.547 1.876 1.844 0.00 0.00 +0.179 A ATOM 19 N LIG 1 4.085 3.117 1.711 0.00 0.00 -0.272 N ATOM 20 H LIG 1 3.889 3.636 0.875 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 3.849 3.567 2.952 0.00 0.00 +0.440 A ATOM 22 O LIG 1 3.387 4.659 3.238 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 4.210 2.591 3.847 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 4.667 1.484 3.064 0.00 0.00 -0.055 NA ENDBRANCH 9 18 BRANCH 1 25 ATOM 25 C LIG 1 -1.307 -0.547 2.410 0.00 0.00 +0.158 C BRANCH 25 27 ATOM 26 C LIG 1 -2.676 -1.184 0.370 0.00 0.00 +0.111 A ATOM 27 N LIG 1 -2.377 -0.359 1.437 0.00 0.00 -0.323 N ATOM 28 C LIG 1 -3.299 0.668 1.456 0.00 0.00 +0.069 A ATOM 29 C LIG 1 -4.129 0.407 0.372 0.00 0.00 +0.095 A ATOM 30 C LIG 1 -5.209 1.260 0.047 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -5.397 2.366 0.908 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -4.554 2.617 1.995 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -3.482 1.774 2.292 0.00 0.00 +0.028 A ATOM 34 N LIG 1 -3.735 -0.739 -0.278 0.00 0.00 -0.232 NA BRANCH 30 35 ATOM 35 C LIG 1 -6.146 0.970 -1.123 0.00 0.00 +0.087 C ATOM 36 C LIG 1 -6.769 2.221 -1.754 0.00 0.00 +0.046 C ATOM 37 C LIG 1 -7.252 0.013 -0.665 0.00 0.00 +0.046 C BRANCH 35 38 ATOM 38 O LIG 1 -5.444 0.320 -2.193 0.00 0.00 -0.384 OA ATOM 39 H LIG 1 -4.777 -0.270 -1.781 0.00 0.00 +0.211 HD ENDBRANCH 35 38 ENDBRANCH 30 35 BRANCH 26 40 ATOM 40 C LIG 1 -1.905 -2.407 -0.015 0.00 0.00 +0.074 C BRANCH 40 42 ATOM 41 C LIG 1 -0.120 -3.338 -1.535 0.00 0.00 +0.004 C ATOM 42 C LIG 1 -0.985 -2.131 -1.205 0.00 0.00 +0.004 C ENDBRANCH 40 42 ENDBRANCH 26 40 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 7