REMARK Name = BDB005415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.406 -0.423 0.423 0.00 0.00 +0.146 A ATOM 2 N LIG 1 1.430 0.377 -0.179 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.256 0.005 0.399 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.182 0.340 0.341 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -1.698 -0.669 1.325 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -0.663 -1.415 1.951 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -0.727 -2.219 2.866 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.543 -0.972 1.295 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.864 -1.255 1.313 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.072 -0.742 1.688 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -3.740 -1.964 1.930 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.119 -3.323 1.741 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.092 -1.945 2.333 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -5.796 -0.749 2.444 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.151 0.444 2.159 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.009 1.932 2.281 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -3.807 0.452 1.785 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.790 0.180 -1.048 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -2.355 1.269 -1.754 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -2.421 2.661 -1.183 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -2.909 1.051 -3.030 0.00 0.00 +0.022 A ATOM 22 C LIG 1 -2.895 -0.217 -3.620 0.00 0.00 +0.052 A ATOM 23 C LIG 1 -2.328 -1.288 -2.934 0.00 0.00 +0.019 A ATOM 24 C LIG 1 -1.783 -1.090 -1.665 0.00 0.00 +0.007 A BRANCH 22 25 ATOM 25 C LIG 1 -3.460 -0.412 -4.923 0.00 0.00 +0.099 C ATOM 26 N LIG 1 -3.913 -0.564 -5.981 0.00 0.00 -0.191 NA ENDBRANCH 22 25 ENDBRANCH 4 18 BRANCH 1 28 ATOM 27 C LIG 1 4.705 0.495 0.783 0.00 0.00 +0.131 A ATOM 28 C LIG 1 3.837 -0.394 0.133 0.00 0.00 +0.059 A ATOM 29 C LIG 1 4.376 -1.324 -0.766 0.00 0.00 +0.015 A ATOM 30 C LIG 1 5.743 -1.324 -1.054 0.00 0.00 +0.001 A ATOM 31 C LIG 1 6.587 -0.400 -0.439 0.00 0.00 +0.004 A ATOM 32 C LIG 1 6.069 0.513 0.479 0.00 0.00 +0.046 A BRANCH 27 34 ATOM 33 C LIG 1 4.296 0.892 3.003 0.00 0.00 +0.277 C ATOM 34 O LIG 1 4.229 1.422 1.677 0.00 0.00 -0.494 OA ENDBRANCH 27 34 ENDBRANCH 1 28 BRANCH 2 35 ATOM 35 C LIG 1 1.569 1.364 -1.242 0.00 0.00 +0.083 C ATOM 36 C LIG 1 2.452 2.556 -0.881 0.00 0.00 +0.030 C ATOM 37 C LIG 1 1.966 0.742 -2.580 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 6