REMARK Name = BDB034967 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.412 1.987 1.786 0.00 0.00 +0.046 C ATOM 2 C LIG 1 3.172 0.881 0.797 0.00 0.00 -0.020 A ATOM 3 C LIG 1 1.911 0.295 0.691 0.00 0.00 +0.092 A ATOM 4 C LIG 1 1.775 -0.725 -0.274 0.00 0.00 +0.092 A ATOM 5 C LIG 1 0.525 -1.314 -0.393 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.553 -0.914 0.403 0.00 0.00 -0.023 A ATOM 7 C LIG 1 -0.309 0.093 1.323 0.00 0.00 +0.115 A ATOM 8 N LIG 1 2.777 -1.153 -1.069 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 3.975 -0.571 -0.936 0.00 0.00 +0.117 A ATOM 10 N LIG 1 0.889 0.696 1.481 0.00 0.00 -0.253 NA ATOM 11 C LIG 1 4.215 0.447 -0.030 0.00 0.00 +0.048 A ENDROOT BRANCH 9 12 ATOM 12 N LIG 1 4.982 -1.014 -1.788 0.00 0.00 -0.343 N ATOM 13 H LIG 1 4.597 -1.782 -2.331 0.00 0.00 +0.144 HD ATOM 14 H LIG 1 5.812 -1.292 -1.277 0.00 0.00 +0.144 HD ENDBRANCH 9 12 BRANCH 6 15 ATOM 15 C LIG 1 -1.905 -1.567 0.281 0.00 0.00 +0.073 C BRANCH 15 16 ATOM 16 C LIG 1 -3.016 -0.631 -0.144 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -3.209 -0.235 -1.478 0.00 0.00 +0.044 A ATOM 18 CL LIG 1 -2.211 -0.818 -2.761 0.00 0.00 -0.083 Cl ATOM 19 C LIG 1 -4.240 0.649 -1.816 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -5.091 1.147 -0.831 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -4.915 0.763 0.495 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.887 -0.119 0.836 0.00 0.00 +0.005 A ENDBRANCH 15 16 ENDBRANCH 6 15 TORSDOF 3