REMARK Name = BDB005868 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.775 1.507 -0.303 0.00 0.00 +0.120 A ATOM 2 N LIG 1 -0.420 0.194 -0.580 0.00 0.00 -0.325 N ATOM 3 C LIG 1 -1.503 -0.622 -0.280 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -2.438 0.259 0.260 0.00 0.00 +0.094 A ATOM 5 C LIG 1 -3.665 -0.198 0.734 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -3.870 -1.556 0.623 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -2.985 -2.437 0.088 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -1.791 -1.990 -0.386 0.00 0.00 +0.099 A ATOM 9 N LIG 1 -1.979 1.541 0.235 0.00 0.00 -0.231 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.131 -2.152 1.095 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -5.317 -3.472 0.966 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -4.675 -4.136 0.567 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.529 -3.744 1.466 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.054 -4.844 1.521 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -7.088 -2.568 1.908 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -6.127 -1.538 1.642 0.00 0.00 -0.053 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -0.944 -3.002 -0.988 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -0.822 -3.132 -2.378 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -0.011 -4.130 -2.912 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 0.171 -4.287 -4.611 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 0.651 -4.981 -2.042 0.00 0.00 +0.130 A ATOM 22 N LIG 1 0.550 -4.902 -0.695 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -0.258 -3.930 -0.204 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 0.099 2.722 -0.572 0.00 0.00 +0.111 C BRANCH 24 25 ATOM 25 C LIG 1 -0.071 3.841 0.454 0.00 0.00 -0.035 A ATOM 26 C LIG 1 0.980 4.157 1.333 0.00 0.00 +0.004 A ATOM 27 C LIG 1 0.846 5.185 2.268 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -0.340 5.910 2.344 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -1.395 5.605 1.487 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -1.261 4.578 0.550 0.00 0.00 +0.004 A ENDBRANCH 24 25 BRANCH 24 31 ATOM 31 C LIG 1 -0.029 3.223 -2.033 0.00 0.00 +0.175 C BRANCH 31 33 ATOM 32 C LIG 1 -1.457 4.056 -3.722 0.00 0.00 +0.194 C ATOM 33 O LIG 1 -1.375 3.518 -2.410 0.00 0.00 -0.382 OA ENDBRANCH 31 33 ENDBRANCH 24 31 ENDBRANCH 1 24 BRANCH 2 34 ATOM 34 C LIG 1 0.873 -0.248 -1.081 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 1.782 -0.867 -0.003 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.304 0.178 0.995 0.00 0.00 +0.005 C ATOM 37 C LIG 1 3.245 -0.445 2.026 0.00 0.00 +0.003 C ATOM 38 C LIG 1 4.413 -1.180 1.358 0.00 0.00 -0.014 C ATOM 39 C LIG 1 5.307 -1.839 2.407 0.00 0.00 +0.007 C ATOM 40 C LIG 1 3.899 -2.220 0.355 0.00 0.00 +0.003 C ATOM 41 C LIG 1 2.960 -1.593 -0.673 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 8