REMARK Name = BDB034416 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.208 -0.407 -0.142 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 1.646 -0.599 0.068 0.00 0.00 -0.309 NA ATOM 3 H LIG 1 1.916 -1.551 -0.188 0.00 0.00 +0.123 HD BRANCH 2 4 ATOM 4 C LIG 1 2.487 0.353 -0.696 0.00 0.00 +0.084 C ATOM 5 C LIG 1 2.512 -0.039 -2.182 0.00 0.00 +0.029 C BRANCH 4 8 ATOM 6 C LIG 1 6.306 0.756 -0.201 0.00 0.00 +0.121 A ATOM 7 C LIG 1 5.049 0.586 -0.801 0.00 0.00 +0.054 A ATOM 8 C LIG 1 3.869 0.459 -0.043 0.00 0.00 +0.014 A ATOM 9 C LIG 1 4.013 0.524 1.355 0.00 0.00 +0.122 A ATOM 10 C LIG 1 5.253 0.702 1.965 0.00 0.00 +0.049 A ATOM 11 C LIG 1 6.403 0.815 1.187 0.00 0.00 +0.049 A BRANCH 6 13 ATOM 12 C LIG 1 8.645 1.032 -0.529 0.00 0.00 +0.277 C ATOM 13 O LIG 1 7.347 0.858 -1.084 0.00 0.00 -0.495 OA ENDBRANCH 6 13 BRANCH 9 14 ATOM 14 O LIG 1 2.941 0.398 2.197 0.00 0.00 -0.506 OA ATOM 15 H LIG 1 2.217 0.016 1.650 0.00 0.00 +0.292 HD ENDBRANCH 9 14 ENDBRANCH 4 8 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 C LIG 1 -0.571 -1.368 0.761 0.00 0.00 +0.030 C BRANCH 16 17 ATOM 17 C LIG 1 -2.090 -1.302 0.552 0.00 0.00 +0.083 C BRANCH 17 18 ATOM 18 N LIG 1 -2.639 -0.021 0.991 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 -2.304 0.734 0.395 0.00 0.00 +0.123 HD BRANCH 18 20 ATOM 20 C LIG 1 -4.113 0.045 1.062 0.00 0.00 +0.091 C ATOM 21 C LIG 1 -4.876 -0.360 -0.225 0.00 0.00 +0.081 C ATOM 22 C LIG 1 -6.374 -0.457 0.122 0.00 0.00 +0.051 C ATOM 23 C LIG 1 -7.378 -0.057 -0.896 0.00 0.00 +0.044 C ATOM 24 C LIG 1 -6.978 0.622 -1.976 0.00 0.00 +0.042 C ATOM 25 C LIG 1 -5.601 0.990 -2.203 0.00 0.00 +0.016 C ATOM 26 CL LIG 1 -8.137 1.125 -3.154 0.00 0.00 -0.083 Cl ATOM 27 N LIG 1 -6.811 -0.920 1.260 0.00 0.00 -0.259 NA ATOM 28 C LIG 1 -5.886 -1.204 2.228 0.00 0.00 +0.108 C ATOM 29 C LIG 1 -4.619 0.549 -1.404 0.00 0.00 -0.014 C ATOM 30 C LIG 1 -4.627 -0.750 2.224 0.00 0.00 +0.012 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 9