REMARK Name = BDB005263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.006 -0.848 0.438 0.00 0.00 +0.142 A ATOM 2 N LIG 1 1.237 0.252 0.032 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.009 -0.241 -0.191 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.344 0.199 -0.645 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.056 -1.117 -0.632 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.210 -2.203 -0.284 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.438 -3.400 -0.283 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.059 -1.583 0.016 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.293 -1.969 0.411 0.00 0.00 -0.223 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.407 -1.252 -1.061 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.329 -2.126 -0.442 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.037 -2.928 0.800 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.634 -2.240 -0.966 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.049 -1.466 -2.046 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.160 -0.569 -2.617 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -5.660 0.407 -3.943 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -3.856 -0.459 -2.132 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.008 1.215 0.266 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -2.494 2.422 -0.266 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -3.119 3.363 0.556 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -3.270 3.106 1.916 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -4.037 4.268 2.926 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -2.804 1.913 2.462 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.179 0.971 1.642 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 26 ATOM 25 C LIG 1 4.449 -1.277 0.014 0.00 0.00 -0.037 A ATOM 26 C LIG 1 3.415 -0.786 0.838 0.00 0.00 +0.022 A ATOM 27 C LIG 1 3.729 -0.246 2.096 0.00 0.00 +0.030 A ATOM 28 C LIG 1 5.057 -0.157 2.526 0.00 0.00 +0.052 A ATOM 29 C LIG 1 6.083 -0.615 1.700 0.00 0.00 +0.019 A ATOM 30 C LIG 1 5.781 -1.172 0.456 0.00 0.00 +0.005 A BRANCH 25 32 ATOM 31 C LIG 1 4.189 -0.868 -2.455 0.00 0.00 +0.009 C ATOM 32 C LIG 1 4.190 -1.902 -1.340 0.00 0.00 +0.032 C ENDBRANCH 25 32 BRANCH 28 33 ATOM 33 C LIG 1 5.360 0.408 3.807 0.00 0.00 +0.099 C ATOM 34 N LIG 1 5.603 0.881 4.839 0.00 0.00 -0.191 NA ENDBRANCH 28 33 ENDBRANCH 1 26 BRANCH 2 35 ATOM 35 C LIG 1 1.731 1.613 -0.159 0.00 0.00 +0.083 C ATOM 36 C LIG 1 1.315 2.222 -1.499 0.00 0.00 +0.030 C ATOM 37 C LIG 1 1.362 2.528 1.006 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 6