REMARK  Name = BDB028324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.224   0.874   0.498  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.392   0.388  -0.632  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -4.060  -0.046  -1.772  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.344  -0.510  -2.879  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.948  -0.547  -2.838  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.247  -0.128  -1.695  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -5.531  -0.024  -1.796  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -6.159  -0.391  -2.783  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -6.148   0.425  -0.654  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -7.163   0.445  -0.651  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.991   0.340  -0.593  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.526   0.873   0.470  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.222  -0.182  -1.645  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        0.903  -0.783  -0.576  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        2.297  -0.810  -0.554  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        2.982  -0.260  -1.629  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        2.372   0.335  -2.679  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        1.017   0.360  -2.658  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  O   LIG    1        2.897  -1.446   0.504  0.00  0.00    -0.454 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.048  -0.886   1.009  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        5.145  -1.730   1.184  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        6.329  -1.226   1.724  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        6.402   0.116   2.101  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        7.861   0.737   2.769  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        5.298   0.955   1.949  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        4.113   0.452   1.408  0.00  0.00    +0.048 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  27
ATOM     27  C   LIG    1       -3.556   1.400   1.765  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.076   0.269   2.563  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -3.880  -0.322   2.791  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -2.741   0.621   3.460  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 5