REMARK Name = BDB042819 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.371 -0.745 -0.183 0.00 0.00 +0.088 C ATOM 2 C LIG 1 -1.448 0.341 0.102 0.00 0.00 +0.090 C ATOM 3 C LIG 1 -2.874 -0.247 0.031 0.00 0.00 +0.055 C ATOM 4 N LIG 1 -3.870 0.547 -0.150 0.00 0.00 -0.279 NA ATOM 5 C LIG 1 -5.253 0.081 -0.241 0.00 0.00 +0.221 C ATOM 6 C LIG 1 -5.465 -1.400 -0.056 0.00 0.00 +0.185 C ATOM 7 C LIG 1 -4.303 -2.249 0.238 0.00 0.00 +0.033 A ATOM 8 C LIG 1 -4.480 -3.605 0.524 0.00 0.00 +0.050 A ATOM 9 C LIG 1 -3.375 -4.373 0.858 0.00 0.00 +0.126 A ATOM 10 F LIG 1 -3.536 -5.668 1.157 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -2.101 -3.815 0.897 0.00 0.00 +0.062 A ATOM 12 C LIG 1 -1.910 -2.470 0.567 0.00 0.00 +0.040 A ATOM 13 O LIG 1 -6.580 -1.913 -0.128 0.00 0.00 -0.290 OA ATOM 14 C LIG 1 -3.030 -1.688 0.261 0.00 0.00 +0.028 A ATOM 15 N LIG 1 -0.617 -1.937 0.663 0.00 0.00 -0.339 N ATOM 16 H LIG 1 -0.369 -1.782 1.642 0.00 0.00 +0.146 HD ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 -1.322 1.607 -0.744 0.00 0.00 -0.018 A ATOM 18 C LIG 1 -1.539 1.653 -2.135 0.00 0.00 +0.045 A ATOM 19 CL LIG 1 -1.964 0.258 -3.063 0.00 0.00 -0.083 Cl ATOM 20 C LIG 1 -1.407 2.857 -2.837 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -1.065 4.031 -2.169 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -0.860 4.008 -0.795 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -0.993 2.811 -0.088 0.00 0.00 +0.006 A ENDBRANCH 2 17 BRANCH 1 26 ATOM 24 N LIG 1 2.979 1.032 -0.461 0.00 0.00 -0.300 NA ATOM 25 C LIG 1 1.787 0.430 -1.085 0.00 0.00 +0.090 C ATOM 26 C LIG 1 1.122 -0.379 0.027 0.00 0.00 +0.025 C ATOM 27 C LIG 1 1.499 0.359 1.313 0.00 0.00 +0.022 C ATOM 28 C LIG 1 2.522 1.408 0.885 0.00 0.00 +0.085 C BRANCH 24 29 ATOM 29 C LIG 1 4.125 0.098 -0.448 0.00 0.00 +0.112 C BRANCH 29 30 ATOM 30 C LIG 1 5.441 0.733 0.052 0.00 0.00 +0.174 C BRANCH 30 32 ATOM 31 C LIG 1 6.120 -0.604 1.899 0.00 0.00 +0.194 C ATOM 32 O LIG 1 5.597 0.646 1.472 0.00 0.00 -0.382 OA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 24 29 ENDBRANCH 1 26 TORSDOF 5