REMARK Name = BDB055769 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.827 -1.686 -0.483 0.00 0.00 +0.051 A ATOM 2 C LIG 1 0.556 -1.929 -0.675 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.994 -3.161 -1.162 0.00 0.00 +0.040 A ATOM 4 C LIG 1 0.060 -4.152 -1.461 0.00 0.00 +0.020 A ATOM 5 BR LIG 1 0.647 -5.825 -2.122 0.00 0.00 -0.050 Br ATOM 6 C LIG 1 -1.304 -3.929 -1.281 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -1.746 -2.699 -0.793 0.00 0.00 +0.026 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -3.763 2.629 0.938 0.00 0.00 +0.105 C ATOM 9 N LIG 1 -3.589 1.180 0.980 0.00 0.00 -0.302 NA ATOM 10 C LIG 1 -3.503 0.594 -0.376 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -2.073 0.360 -0.914 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -1.229 -0.424 0.021 0.00 0.00 -0.326 N ATOM 13 C LIG 1 -1.770 -0.522 1.400 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -2.410 0.823 1.804 0.00 0.00 +0.103 C ENDBRANCH 1 12 BRANCH 2 15 ATOM 15 N LIG 1 1.413 -0.854 -0.353 0.00 0.00 -0.280 N ATOM 16 H LIG 1 0.894 -0.045 -0.014 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 2.783 -0.792 -0.439 0.00 0.00 +0.250 C ATOM 18 O LIG 1 3.529 -1.687 -0.824 0.00 0.00 -0.270 OA BRANCH 17 19 ATOM 19 C LIG 1 3.394 0.523 -0.097 0.00 0.00 +0.055 A ATOM 20 C LIG 1 3.002 1.332 0.978 0.00 0.00 +0.053 A ATOM 21 CL LIG 1 1.774 0.889 2.110 0.00 0.00 -0.083 Cl ATOM 22 C LIG 1 3.645 2.558 1.198 0.00 0.00 +0.021 A ATOM 23 C LIG 1 4.680 2.978 0.361 0.00 0.00 +0.001 A ATOM 24 C LIG 1 5.086 2.171 -0.697 0.00 0.00 +0.001 A ATOM 25 C LIG 1 4.450 0.949 -0.923 0.00 0.00 +0.014 A ENDBRANCH 17 19 ENDBRANCH 2 15 TORSDOF 3