REMARK Name = BDB011413 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.985 -1.234 0.324 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.183 -0.123 0.020 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.098 -0.455 0.352 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.448 0.179 0.322 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.238 -0.884 1.037 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.450 -2.023 1.338 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.766 -3.073 1.875 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.119 -1.698 0.910 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.171 -2.220 0.881 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.599 -0.755 1.341 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.255 0.627 1.392 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -3.583 1.656 1.330 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -5.644 0.662 1.553 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -6.317 1.952 1.592 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.385 -0.475 1.816 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -5.805 -1.677 1.867 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -6.727 -3.091 2.202 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.395 -1.810 1.608 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 22 ATOM 19 C LIG 1 6.087 -1.526 -0.382 0.00 0.00 +0.321 A ATOM 20 N LIG 1 5.711 -0.769 0.660 0.00 0.00 -0.159 NA ATOM 21 C LIG 1 4.383 -0.688 0.880 0.00 0.00 +0.230 A ATOM 22 C LIG 1 3.427 -1.314 0.094 0.00 0.00 +0.078 A ATOM 23 C LIG 1 3.943 -2.067 -0.940 0.00 0.00 +0.131 A ATOM 24 N LIG 1 5.260 -2.185 -1.204 0.00 0.00 -0.202 NA BRANCH 19 26 ATOM 25 C LIG 1 8.277 -0.999 0.235 0.00 0.00 +0.280 C ATOM 26 O LIG 1 7.423 -1.665 -0.685 0.00 0.00 -0.466 OA ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 O LIG 1 3.930 0.089 1.933 0.00 0.00 -0.479 OA ATOM 28 C LIG 1 4.973 0.602 2.755 0.00 0.00 +0.279 C ENDBRANCH 21 27 ENDBRANCH 1 22 BRANCH 4 29 ATOM 29 C LIG 1 -1.965 0.404 -1.095 0.00 0.00 -0.021 A ATOM 30 C LIG 1 -2.056 -0.648 -2.026 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -2.541 -0.423 -3.318 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -2.949 0.856 -3.702 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -2.870 1.909 -2.787 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -2.383 1.683 -1.497 0.00 0.00 +0.007 A BRANCH 32 35 ATOM 35 C LIG 1 -3.449 1.087 -5.025 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -3.854 1.277 -6.096 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 4 29 BRANCH 2 37 ATOM 37 C LIG 1 1.673 1.134 -0.549 0.00 0.00 +0.081 C ATOM 38 C LIG 1 1.126 2.381 0.145 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.483 1.188 -2.063 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 7