REMARK  Name = BDB063925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.194   0.144  -0.983  0.00  0.00    -0.312 N 
ATOM      2  H   LIG    1        0.579  -0.712  -1.377  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.137   0.850  -0.311  0.00  0.00    +0.188 C 
ATOM      4  N   LIG    1        0.874   1.990   0.363  0.00  0.00    -0.253 N 
ATOM      5  H   LIG    1        0.007   2.490   0.422  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1        2.027   2.464   0.898  0.00  0.00    +0.269 C 
ATOM      7  O   LIG    1        2.199   3.473   1.550  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        3.018   1.438   0.477  0.00  0.00    +0.130 C 
ATOM      9  C   LIG    1        4.313   1.531   0.802  0.00  0.00    +0.041 C 
ATOM     10  N   LIG    1        2.381   0.473  -0.273  0.00  0.00    -0.213 NA
BRANCH   9  11
ATOM     11  C   LIG    1        5.384   0.592   0.429  0.00  0.00    -0.022 A 
ATOM     12  C   LIG    1        5.170  -0.792   0.342  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        6.252  -1.629   0.013  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        7.534  -1.126  -0.217  0.00  0.00    +0.078 A 
ATOM     15  N   LIG    1        8.498  -2.071  -0.530  0.00  0.00    -0.247 NA
ATOM     16  C   LIG    1        7.952  -3.265  -0.537  0.00  0.00    +0.157 A 
ATOM     17  C   LIG    1        7.741   0.262  -0.111  0.00  0.00    +0.029 A 
ATOM     18  S   LIG    1        6.281  -3.343  -0.172  0.00  0.00    -0.075 S 
ATOM     19  C   LIG    1        6.669   1.104   0.215  0.00  0.00    +0.010 A 
ENDBRANCH   9  11
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  C   LIG    1       -1.245   0.096  -0.771  0.00  0.00    +0.099 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.974   1.341  -1.317  0.00  0.00    +0.027 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -0.513   2.134  -3.278  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1       -1.881   1.619  -2.834  0.00  0.00    -0.015 C 
ATOM     24  C   LIG    1       -2.307   0.423  -3.684  0.00  0.00    +0.007 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  C   LIG    1       -1.582  -0.172   0.712  0.00  0.00    +0.182 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -2.967  -0.495   0.840  0.00  0.00    -0.373 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.321  -0.784   2.193  0.00  0.00    +0.195 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.796  -1.091   2.275  0.00  0.00    -0.022 A 
ATOM     29  C   LIG    1       -5.408  -1.933   1.332  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -6.766  -2.240   1.429  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -7.513  -1.713   2.475  0.00  0.00    +0.123 A 
ATOM     32  F   LIG    1       -8.816  -2.007   2.570  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -6.927  -0.887   3.427  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -5.569  -0.579   3.330  0.00  0.00    +0.009 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 9