REMARK Name = BDB014350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.420 0.540 0.413 0.00 0.00 -0.338 N ATOM 2 C LIG 1 -1.531 -0.262 0.663 0.00 0.00 +0.094 A ATOM 3 C LIG 1 -2.050 0.155 1.887 0.00 0.00 +0.094 A ATOM 4 N LIG 1 -3.093 -0.432 2.506 0.00 0.00 -0.223 NA ATOM 5 C LIG 1 -3.593 -1.474 1.825 0.00 0.00 +0.200 A ATOM 6 N LIG 1 -3.191 -1.940 0.632 0.00 0.00 -0.222 NA ATOM 7 C LIG 1 -1.320 1.276 2.315 0.00 0.00 +0.054 A ATOM 8 C LIG 1 -2.161 -1.327 0.007 0.00 0.00 +0.100 A ATOM 9 C LIG 1 -0.344 1.543 1.373 0.00 0.00 +0.060 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.725 -2.171 2.476 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -5.178 -1.726 3.660 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.833 -0.941 4.188 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.189 -2.527 4.017 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.852 -2.434 5.037 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.358 -3.476 3.039 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.369 -3.205 2.038 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -1.843 -1.840 -1.315 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -1.331 -3.132 -1.494 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -1.050 -3.595 -2.776 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -0.391 -5.161 -3.013 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -1.298 -2.757 -3.851 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -1.809 -1.509 -3.727 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -2.092 -1.095 -2.468 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 C LIG 1 0.646 2.684 1.387 0.00 0.00 +0.245 C ATOM 25 F LIG 1 0.842 3.091 2.678 0.00 0.00 -0.234 F BRANCH 24 26 ATOM 26 C LIG 1 0.226 3.835 0.502 0.00 0.00 +0.027 A ATOM 27 C LIG 1 -0.876 4.626 0.842 0.00 0.00 +0.130 A ATOM 28 F LIG 1 -1.570 4.374 1.960 0.00 0.00 -0.205 F ATOM 29 C LIG 1 -1.282 5.689 0.039 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -0.579 5.984 -1.127 0.00 0.00 +0.003 A ATOM 31 C LIG 1 0.530 5.217 -1.479 0.00 0.00 +0.001 A ATOM 32 C LIG 1 0.934 4.151 -0.669 0.00 0.00 +0.009 A ENDBRANCH 24 26 ENDBRANCH 9 24 BRANCH 1 33 ATOM 33 C LIG 1 0.543 0.344 -0.665 0.00 0.00 +0.125 C BRANCH 33 38 ATOM 34 C LIG 1 5.582 -1.862 -0.104 0.00 0.00 +0.007 C ATOM 35 C LIG 1 4.525 -0.988 -0.780 0.00 0.00 -0.014 C ATOM 36 C LIG 1 3.812 -0.078 0.238 0.00 0.00 +0.003 C ATOM 37 C LIG 1 2.483 -0.668 0.700 0.00 0.00 +0.005 C ATOM 38 C LIG 1 1.491 -0.858 -0.467 0.00 0.00 +0.009 C ATOM 39 C LIG 1 2.218 -1.146 -1.797 0.00 0.00 +0.005 C ATOM 40 C LIG 1 3.542 -1.866 -1.574 0.00 0.00 +0.003 C ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 6