REMARK Name = BDB060345 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.323 -0.895 -0.110 0.00 0.00 +0.002 A ATOM 2 C LIG 1 -2.692 -0.646 1.115 0.00 0.00 +0.010 A ATOM 3 C LIG 1 -1.381 -1.076 1.333 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.672 -1.747 0.326 0.00 0.00 -0.033 A ATOM 5 C LIG 1 -1.304 -1.982 -0.904 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -2.618 -1.554 -1.124 0.00 0.00 +0.010 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -7.003 2.147 0.663 0.00 0.00 +0.129 A ATOM 8 N LIG 1 -6.392 1.036 0.107 0.00 0.00 -0.226 N ATOM 9 C LIG 1 -7.283 0.396 -0.736 0.00 0.00 +0.085 A ATOM 10 C LIG 1 -6.855 -0.789 -1.377 0.00 0.00 +0.031 A ATOM 11 C LIG 1 -5.606 -1.228 -1.182 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -4.724 -0.414 -0.297 0.00 0.00 +0.092 A ATOM 13 C LIG 1 -8.455 1.114 -0.739 0.00 0.00 +0.069 A ATOM 14 CL LIG 1 -9.881 0.780 -1.600 0.00 0.00 -0.081 Cl ATOM 15 N LIG 1 -5.104 0.659 0.327 0.00 0.00 -0.166 NA ATOM 16 C LIG 1 -8.286 2.211 0.129 0.00 0.00 +0.055 A BRANCH 7 20 ATOM 17 N LIG 1 -6.930 4.270 1.721 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -7.522 4.639 0.994 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 -6.415 4.925 2.293 0.00 0.00 +0.145 HD ATOM 20 C LIG 1 -6.377 3.021 1.626 0.00 0.00 +0.260 C ATOM 21 O LIG 1 -5.423 2.747 2.347 0.00 0.00 -0.269 OA ENDBRANCH 7 20 ENDBRANCH 1 12 BRANCH 4 22 ATOM 22 C LIG 1 0.747 -2.222 0.568 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 1.655 -1.151 1.008 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 1.903 -0.137 -0.046 0.00 0.00 +0.103 C ATOM 25 C LIG 1 2.802 -0.605 -1.216 0.00 0.00 +0.120 C ATOM 26 N LIG 1 4.071 -1.191 -0.740 0.00 0.00 -0.327 N ATOM 27 C LIG 1 3.872 -2.226 0.301 0.00 0.00 +0.120 C ATOM 28 C LIG 1 2.962 -1.703 1.442 0.00 0.00 +0.103 C BRANCH 26 29 ATOM 29 C LIG 1 5.215 -0.399 -0.609 0.00 0.00 +0.030 A ATOM 30 C LIG 1 5.195 1.002 -0.610 0.00 0.00 +0.023 A ATOM 31 C LIG 1 6.370 1.758 -0.486 0.00 0.00 +0.014 A ATOM 32 C LIG 1 7.615 1.132 -0.366 0.00 0.00 +0.055 A ATOM 33 C LIG 1 7.658 -0.264 -0.393 0.00 0.00 +0.014 A ATOM 34 C LIG 1 6.478 -1.008 -0.513 0.00 0.00 +0.023 A BRANCH 32 35 ATOM 35 C LIG 1 8.881 1.943 -0.259 0.00 0.00 +0.417 C ATOM 36 F LIG 1 9.421 2.226 -1.476 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.697 3.145 0.357 0.00 0.00 -0.166 F ATOM 38 F LIG 1 9.862 1.313 0.447 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 6