REMARK Name = BDB011256 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.191 1.112 0.009 0.00 0.00 +0.071 A ATOM 2 N LIG 1 1.331 0.222 -0.655 0.00 0.00 -0.338 N ATOM 3 C LIG 1 0.055 0.592 -0.344 0.00 0.00 +0.058 A ATOM 4 C LIG 1 -1.334 0.143 -0.649 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.089 1.250 0.018 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -1.254 2.124 0.751 0.00 0.00 +0.255 C ATOM 7 O LIG 1 -1.546 3.065 1.468 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 0.083 1.700 0.454 0.00 0.00 +0.078 A ATOM 9 C LIG 1 1.409 2.033 0.711 0.00 0.00 +0.090 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.508 1.236 0.142 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.369 0.976 -0.946 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.909 0.877 -2.374 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.756 0.867 -0.716 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.293 1.064 0.554 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.449 1.379 1.609 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.106 1.633 3.179 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.072 1.471 1.409 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.675 -1.222 -0.070 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -2.194 -2.229 -0.902 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -2.526 -3.484 -0.385 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -2.345 -3.747 0.970 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -2.752 -5.294 1.603 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -1.836 -2.765 1.814 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.504 -1.510 1.298 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 26 ATOM 25 C LIG 1 4.378 0.261 0.882 0.00 0.00 +0.129 A ATOM 26 C LIG 1 3.654 1.030 -0.042 0.00 0.00 +0.041 A ATOM 27 C LIG 1 4.349 1.760 -1.016 0.00 0.00 +0.013 A ATOM 28 C LIG 1 5.742 1.697 -1.084 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.451 0.904 -0.183 0.00 0.00 +0.004 A ATOM 30 C LIG 1 5.771 0.181 0.797 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 31 C LIG 1 4.020 -0.031 3.149 0.00 0.00 +0.277 C ATOM 32 O LIG 1 3.695 -0.463 1.827 0.00 0.00 -0.494 OA ENDBRANCH 25 32 ENDBRANCH 1 26 BRANCH 2 33 ATOM 33 C LIG 1 1.774 -0.871 -1.524 0.00 0.00 +0.082 C ATOM 34 C LIG 1 1.759 -2.221 -0.811 0.00 0.00 +0.030 C ATOM 35 C LIG 1 1.030 -0.925 -2.859 0.00 0.00 +0.030 C ENDBRANCH 2 33 BRANCH 9 36 ATOM 36 C LIG 1 1.895 3.101 1.527 0.00 0.00 +0.102 C ATOM 37 N LIG 1 2.315 3.957 2.190 0.00 0.00 -0.191 NA ENDBRANCH 9 36 TORSDOF 6