REMARK Name = BDB009517 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.539 -1.107 0.421 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.664 -2.365 1.001 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.199 -2.779 1.940 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.681 -3.222 0.598 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.592 -2.808 -0.378 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.501 -1.526 -0.947 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.455 -0.679 -0.546 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.153 0.793 1.523 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.512 -0.183 0.868 0.00 0.00 +0.249 C ATOM 10 N LIG 1 -1.833 -0.424 0.500 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -2.875 0.363 1.162 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -4.091 0.616 0.263 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -4.567 -0.614 -0.387 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -5.887 -0.844 -0.764 0.00 0.00 +0.250 C ATOM 15 O LIG 1 -6.251 -1.786 -1.462 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -3.526 -1.393 -1.061 0.00 0.00 +0.127 C ATOM 17 C LIG 1 -2.304 -1.645 -0.169 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 -6.929 0.050 -0.257 0.00 0.00 +0.074 A ATOM 19 C LIG 1 -7.308 1.193 -0.941 0.00 0.00 +0.141 A ATOM 20 CL LIG 1 -6.574 1.704 -2.409 0.00 0.00 -0.061 Cl ATOM 21 N LIG 1 -8.268 2.042 -0.500 0.00 0.00 -0.243 NA ATOM 22 C LIG 1 -8.891 1.709 0.652 0.00 0.00 +0.112 A ATOM 23 C LIG 1 -8.593 0.573 1.393 0.00 0.00 +0.021 A ATOM 24 C LIG 1 -7.593 -0.275 0.927 0.00 0.00 +0.017 A ENDBRANCH 14 18 ENDBRANCH 1 9 BRANCH 6 25 ATOM 25 C LIG 1 3.490 -1.099 -2.009 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 4.009 0.326 -1.841 0.00 0.00 +0.069 A ATOM 27 C LIG 1 4.963 0.644 -0.732 0.00 0.00 -0.016 A ATOM 28 C LIG 1 5.453 -0.427 0.201 0.00 0.00 +0.037 C ATOM 29 C LIG 1 6.660 0.005 1.039 0.00 0.00 +0.005 C ATOM 30 C LIG 1 6.469 1.413 1.590 0.00 0.00 +0.005 C ATOM 31 C LIG 1 6.274 2.423 0.458 0.00 0.00 +0.041 C ATOM 32 C LIG 1 5.352 1.926 -0.622 0.00 0.00 +0.023 A ATOM 33 C LIG 1 4.865 2.940 -1.591 0.00 0.00 +0.268 A ATOM 34 O LIG 1 5.221 4.112 -1.536 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 4.005 2.483 -2.552 0.00 0.00 -0.243 N ATOM 36 H LIG 1 3.657 3.161 -3.222 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 3.567 1.204 -2.692 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4