REMARK  Name = BDB032504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.956   3.542   0.545  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.826   2.826   1.240  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1        0.156   1.770   0.617  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.868   1.132   1.299  0.00  0.00    +0.215 A 
ATOM      5  N   LIG    1       -1.254   1.457   2.552  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.593   2.476   3.139  0.00  0.00    +0.115 A 
ATOM      7  C   LIG    1        0.439   3.180   2.536  0.00  0.00    +0.025 A 
BRANCH   4   8
ATOM      8  O   LIG    1       -1.476   0.086   0.639  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -2.691  -0.344   1.263  0.00  0.00    +0.242 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.358  -1.413   0.382  0.00  0.00    +0.093 C 
ATOM     11  C   LIG    1       -4.078  -0.806  -0.794  0.00  0.00    +0.116 A 
ATOM     12  N   LIG    1       -5.270  -1.309  -1.256  0.00  0.00    -0.334 N 
ATOM     13  C   LIG    1       -5.651  -0.583  -2.345  0.00  0.00    +0.107 A 
ATOM     14  C   LIG    1       -4.652   0.347  -2.511  0.00  0.00    +0.130 A 
ATOM     15  C   LIG    1       -6.010  -2.390  -0.639  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1       -5.156  -3.195   0.337  0.00  0.00    +0.022 C 
ATOM     17  N   LIG    1       -3.686   0.200  -1.550  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1       -4.330  -2.263   1.226  0.00  0.00    +0.016 C 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1        3.250   3.047   1.005  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1        3.332   3.118   2.016  0.00  0.00    +0.146 HD
BRANCH  19  25
ATOM     21  C   LIG    1        5.627  -1.748  -0.882  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1        5.040  -0.552  -0.395  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        4.125   0.133  -1.229  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        3.531   1.332  -0.747  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.780   1.845   0.531  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        4.720   1.175   1.315  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        3.856  -0.414  -2.501  0.00  0.00    +0.067 A 
ATOM     28 CL   LIG    1        2.764   0.311  -3.628  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        4.487  -1.589  -2.874  0.00  0.00    +0.133 A 
ATOM     30  C   LIG    1        5.327  -0.004   0.873  0.00  0.00    +0.014 A 
ATOM     31  N   LIG    1        5.360  -2.261  -2.095  0.00  0.00    -0.239 NA
BRANCH  21  32
ATOM     32  N   LIG    1        6.543  -2.480  -0.111  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        6.101  -2.766   0.757  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        7.344  -1.896   0.107  0.00  0.00    +0.144 HD
ENDBRANCH  21  32
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 7