REMARK  Name = BDB032453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.420   1.044  -3.097  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.353   0.013  -2.822  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1        0.147   0.358  -2.204  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.809  -0.624  -2.001  0.00  0.00    +0.215 A 
ATOM      5  N   LIG    1       -0.656  -1.911  -2.381  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1        0.510  -2.225  -2.983  0.00  0.00    +0.115 A 
ATOM      7  C   LIG    1        1.526  -1.314  -3.229  0.00  0.00    +0.025 A 
BRANCH   4   8
ATOM      8  O   LIG    1       -1.980  -0.221  -1.390  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -2.875  -1.300  -1.120  0.00  0.00    +0.234 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.121  -0.740  -0.422  0.00  0.00    +0.035 C 
ATOM     11  C   LIG    1       -3.753  -0.065   0.914  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1       -4.960   0.235   1.738  0.00  0.00    +0.110 A 
ATOM     13  N   LIG    1       -6.170  -0.369   1.509  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -7.057   0.081   2.441  0.00  0.00    +0.107 A 
ATOM     15  C   LIG    1       -6.333   0.957   3.216  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1       -6.441  -1.280   0.419  0.00  0.00    +0.123 C 
ATOM     17  N   LIG    1       -5.037   1.045   2.774  0.00  0.00    -0.241 NA
ATOM     18  C   LIG    1       -5.161  -1.851  -0.193  0.00  0.00    +0.029 C 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1        2.594   1.972  -1.985  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1        2.677   2.937  -2.294  0.00  0.00    +0.146 HD
BRANCH  19  25
ATOM     21  C   LIG    1        5.844   0.938   2.538  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1        5.034   1.209   1.411  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        4.662   0.129   0.579  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        3.858   0.400  -0.562  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.438   1.689  -0.911  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        3.778   2.727  -0.042  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        5.104  -1.161   0.938  0.00  0.00    +0.067 A 
ATOM     28 CL   LIG    1        4.730  -2.576   0.018  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        5.881  -1.312   2.078  0.00  0.00    +0.133 A 
ATOM     30  C   LIG    1        4.568   2.499   1.088  0.00  0.00    +0.014 A 
ATOM     31  N   LIG    1        6.263  -0.294   2.878  0.00  0.00    -0.239 NA
BRANCH  21  32
ATOM     32  N   LIG    1        6.270   1.949   3.403  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        6.777   2.668   2.900  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        6.856   1.501   4.103  0.00  0.00    +0.144 HD
ENDBRANCH  21  32
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 7