REMARK Name = BDB010119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.134 -1.611 -0.492 0.00 0.00 +0.148 A ATOM 2 N LIG 1 -1.154 -0.785 0.038 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.081 -0.789 -0.832 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.491 -1.616 -1.863 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.259 -1.925 -2.929 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 1.474 -1.364 -2.878 0.00 0.00 +0.242 A ATOM 7 N LIG 1 1.963 -0.558 -1.908 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.194 -0.227 -0.856 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.746 -2.103 -1.653 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -4.474 -1.071 0.229 0.00 0.00 +0.131 A ATOM 11 C LIG 1 -3.393 -1.958 0.165 0.00 0.00 +0.059 A ATOM 12 C LIG 1 -3.527 -3.229 0.745 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -4.705 -3.598 1.410 0.00 0.00 -0.050 A ATOM 14 C LIG 1 -4.820 -4.948 2.054 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -5.749 -2.671 1.514 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -5.636 -1.412 0.923 0.00 0.00 +0.046 A BRANCH 10 18 ATOM 17 C LIG 1 -4.911 0.132 -1.671 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -4.401 0.177 -0.335 0.00 0.00 -0.494 OA ENDBRANCH 10 18 ENDBRANCH 1 11 BRANCH 6 19 ATOM 19 C LIG 1 2.411 -1.641 -4.025 0.00 0.00 +0.375 C ATOM 20 O LIG 1 3.539 -1.198 -4.174 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 1.893 -2.474 -4.957 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 2.603 -2.558 -5.625 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 1.662 0.616 0.137 0.00 0.00 -0.324 N ATOM 24 H LIG 1 0.945 1.276 0.419 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 2.979 1.265 0.060 0.00 0.00 +0.072 C ATOM 26 C LIG 1 3.072 2.242 -1.109 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 4.151 0.280 0.172 0.00 0.00 +0.009 C ATOM 28 C LIG 1 4.866 -0.342 -1.063 0.00 0.00 +0.008 C ATOM 29 C LIG 1 6.205 -0.209 -0.297 0.00 0.00 -0.013 C ATOM 30 C LIG 1 6.672 -1.446 0.455 0.00 0.00 +0.007 C ATOM 31 C LIG 1 5.530 0.892 0.553 0.00 0.00 +0.008 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 32 ATOM 32 C LIG 1 -1.191 -0.181 1.366 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -1.281 1.330 1.379 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -1.827 2.081 0.329 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -1.888 3.476 0.402 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -1.410 4.155 1.529 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.885 3.408 2.592 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.825 2.014 2.518 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -1.500 5.659 1.619 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -0.477 6.210 2.332 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.645 6.075 2.226 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.475 6.272 0.403 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 10