REMARK Name = BDB011091 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.356 0.103 -0.205 0.00 0.00 -0.307 N ATOM 2 C LIG 1 0.144 1.427 -0.539 0.00 0.00 +0.133 A ATOM 3 C LIG 1 1.226 1.722 -1.359 0.00 0.00 +0.186 A ATOM 4 N LIG 1 1.359 2.855 -2.065 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 0.320 3.672 -1.917 0.00 0.00 +0.203 A ATOM 6 N LIG 1 -0.746 3.507 -1.108 0.00 0.00 -0.205 NA ATOM 7 N LIG 1 2.140 0.715 -1.368 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -0.851 2.387 -0.359 0.00 0.00 +0.170 A ATOM 9 C LIG 1 1.648 -0.220 -0.589 0.00 0.00 +0.201 A ENDROOT BRANCH 8 10 ATOM 10 N LIG 1 -1.919 2.305 0.581 0.00 0.00 -0.265 N ATOM 11 C LIG 1 -3.155 2.875 0.217 0.00 0.00 +0.257 A ATOM 12 O LIG 1 -3.447 3.373 -0.869 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 -4.234 2.806 1.248 0.00 0.00 +0.072 A ATOM 14 C LIG 1 -4.001 2.268 2.451 0.00 0.00 +0.027 A ATOM 15 C LIG 1 -2.693 1.771 2.779 0.00 0.00 +0.058 A ATOM 16 CL LIG 1 -2.421 1.155 4.360 0.00 0.00 -0.082 Cl ATOM 17 C LIG 1 -1.714 1.810 1.867 0.00 0.00 +0.116 A ENDBRANCH 8 10 BRANCH 5 18 ATOM 18 C LIG 1 0.289 4.909 -2.726 0.00 0.00 +0.220 A ATOM 19 N LIG 1 -0.818 5.671 -2.699 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -1.670 5.480 -2.194 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -0.597 6.708 -3.516 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -1.379 7.612 -3.760 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 0.668 6.586 -4.039 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 1.218 5.379 -3.494 0.00 0.00 -0.051 NA ENDBRANCH 5 18 BRANCH 9 25 ATOM 25 N LIG 1 2.258 -1.394 -0.262 0.00 0.00 -0.289 N ATOM 26 C LIG 1 2.514 -1.756 1.170 0.00 0.00 +0.132 C ATOM 27 C LIG 1 3.908 -2.426 1.356 0.00 0.00 +0.187 C ATOM 28 O LIG 1 4.993 -1.726 0.734 0.00 0.00 -0.376 OA ATOM 29 C LIG 1 4.714 -1.311 -0.613 0.00 0.00 +0.179 C ATOM 30 C LIG 1 3.365 -1.793 -1.161 0.00 0.00 +0.136 C BRANCH 26 31 ATOM 31 C LIG 1 2.317 -0.635 2.189 0.00 0.00 -0.025 A ATOM 32 C LIG 1 3.044 0.565 2.129 0.00 0.00 +0.005 A ATOM 33 C LIG 1 2.852 1.567 3.082 0.00 0.00 +0.000 A ATOM 34 C LIG 1 1.946 1.379 4.121 0.00 0.00 +0.000 A ATOM 35 C LIG 1 1.230 0.188 4.210 0.00 0.00 +0.000 A ATOM 36 C LIG 1 1.410 -0.810 3.250 0.00 0.00 +0.005 A ENDBRANCH 26 31 ENDBRANCH 9 25 BRANCH 1 37 ATOM 37 C LIG 1 -0.644 -0.868 0.215 0.00 0.00 +0.128 C BRANCH 37 42 ATOM 38 C LIG 1 -1.658 -5.361 -1.556 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -1.584 -3.915 -1.068 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -2.975 -3.369 -0.741 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.910 -1.958 -0.147 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -1.824 -1.052 -0.767 0.00 0.00 +0.009 C ATOM 43 C LIG 1 -1.382 -1.587 -2.137 0.00 0.00 +0.005 C ATOM 44 C LIG 1 -0.863 -3.026 -2.096 0.00 0.00 +0.003 C ENDBRANCH 37 42 ENDBRANCH 1 37 TORSDOF 6