REMARK Name = BDB005284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.223 0.637 0.032 0.00 0.00 +0.161 C ATOM 2 N LIG 1 -2.816 1.002 1.355 0.00 0.00 -0.250 N ATOM 3 C LIG 1 -1.861 1.043 2.404 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -1.993 1.387 3.567 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 -0.619 0.678 1.766 0.00 0.00 +0.150 A ATOM 6 N LIG 1 0.679 0.537 2.115 0.00 0.00 -0.222 NA ATOM 7 C LIG 1 1.317 0.293 0.974 0.00 0.00 +0.149 A ATOM 8 N LIG 1 0.413 0.203 -0.098 0.00 0.00 -0.322 N ATOM 9 C LIG 1 -0.811 0.460 0.437 0.00 0.00 +0.077 A ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -4.196 1.310 1.521 0.00 0.00 +0.074 A ATOM 11 C LIG 1 -4.881 1.025 2.715 0.00 0.00 +0.163 A ATOM 12 F LIG 1 -4.276 0.336 3.695 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -6.233 1.345 2.861 0.00 0.00 +0.078 A ATOM 14 CL LIG 1 -7.072 0.973 4.320 0.00 0.00 -0.081 Cl ATOM 15 C LIG 1 -6.931 1.946 1.816 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -6.277 2.212 0.617 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -4.923 1.890 0.468 0.00 0.00 +0.026 A ENDBRANCH 2 10 BRANCH 1 21 ATOM 18 C LIG 1 -4.093 -2.872 -1.643 0.00 0.00 +0.126 A ATOM 19 C LIG 1 -4.056 -1.693 -2.383 0.00 0.00 +0.042 A ATOM 20 C LIG 1 -3.446 -0.563 -1.836 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -2.868 -0.609 -0.553 0.00 0.00 -0.021 A ATOM 22 C LIG 1 -2.928 -1.816 0.174 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -3.538 -2.947 -0.370 0.00 0.00 +0.042 A BRANCH 18 25 ATOM 24 C LIG 1 -5.207 -4.942 -2.656 0.00 0.00 +0.135 C ATOM 25 N LIG 1 -4.698 -3.995 -2.189 0.00 0.00 -0.350 NA ENDBRANCH 18 25 ENDBRANCH 1 21 BRANCH 7 26 ATOM 26 C LIG 1 2.761 0.115 0.897 0.00 0.00 +0.097 A ATOM 27 C LIG 1 3.623 0.904 0.166 0.00 0.00 +0.230 A ATOM 28 N LIG 1 4.957 0.707 0.100 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 5.482 -0.290 0.831 0.00 0.00 +0.220 A ATOM 30 N LIG 1 4.723 -1.087 1.602 0.00 0.00 -0.222 NA ATOM 31 C LIG 1 3.392 -0.859 1.632 0.00 0.00 +0.131 A BRANCH 29 32 ATOM 32 N LIG 1 6.861 -0.490 0.804 0.00 0.00 -0.306 N ATOM 33 C LIG 1 7.535 0.050 -0.364 0.00 0.00 +0.132 C ATOM 34 C LIG 1 7.297 -1.794 1.276 0.00 0.00 +0.132 C ENDBRANCH 29 32 BRANCH 27 35 ATOM 35 O LIG 1 3.075 1.941 -0.574 0.00 0.00 -0.479 OA ATOM 36 C LIG 1 4.051 2.850 -1.074 0.00 0.00 +0.279 C ENDBRANCH 27 35 ENDBRANCH 7 26 BRANCH 8 37 ATOM 37 C LIG 1 0.748 -0.130 -1.480 0.00 0.00 +0.083 C ATOM 38 C LIG 1 0.377 -1.568 -1.837 0.00 0.00 +0.030 C ATOM 39 C LIG 1 0.190 0.875 -2.487 0.00 0.00 +0.030 C ENDBRANCH 8 37 TORSDOF 7