REMARK Name = BDB008794 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.378 0.013 -1.544 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.296 -0.409 -0.777 0.00 0.00 -0.314 N ATOM 3 C LIG 1 -0.863 -0.068 -1.452 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.416 0.545 -2.606 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.214 1.007 -3.579 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.510 0.779 -3.327 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -3.040 0.200 -2.226 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -2.230 -0.212 -1.232 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.940 0.635 -2.630 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 4.857 -2.526 0.676 0.00 0.00 +0.065 C ATOM 11 C LIG 1 4.478 -1.356 -0.184 0.00 0.00 +0.039 A ATOM 12 N LIG 1 3.162 -1.179 -0.445 0.00 0.00 -0.249 NA ATOM 13 C LIG 1 2.809 -0.140 -1.232 0.00 0.00 +0.107 A ATOM 14 C LIG 1 3.742 0.745 -1.773 0.00 0.00 +0.035 A ATOM 15 C LIG 1 5.102 0.565 -1.500 0.00 0.00 -0.041 A ATOM 16 C LIG 1 5.465 -0.513 -0.686 0.00 0.00 +0.027 A BRANCH 15 17 ATOM 17 C LIG 1 6.165 1.507 -2.029 0.00 0.00 +0.013 C ATOM 18 C LIG 1 6.019 1.801 -3.526 0.00 0.00 +0.012 C ATOM 19 C LIG 1 6.175 2.810 -1.225 0.00 0.00 +0.012 C ENDBRANCH 15 17 ENDBRANCH 1 13 BRANCH 6 20 ATOM 20 C LIG 1 -3.507 1.210 -4.370 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -4.724 1.127 -4.297 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 -2.938 1.724 -5.485 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 -3.699 1.918 -6.071 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 -2.757 -0.757 -0.065 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.288 -0.378 0.752 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.216 -0.764 0.088 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -4.715 0.615 0.530 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -4.579 -1.793 1.166 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -4.311 -3.282 0.809 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -5.597 -3.627 1.587 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -6.076 -2.193 1.292 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 0.337 -1.085 0.516 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 0.085 -0.157 1.690 0.00 0.00 -0.028 A ATOM 34 C LIG 1 0.519 1.178 1.711 0.00 0.00 +0.006 A ATOM 35 C LIG 1 0.271 1.995 2.819 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.395 1.490 3.944 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.810 0.150 3.937 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.564 -0.665 2.829 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -0.678 2.364 5.144 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -0.006 3.548 5.128 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.998 2.683 5.250 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.344 1.762 6.321 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 10