REMARK  Name = BDB048182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.183  -0.388  -0.084  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -0.227   1.006   0.164  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.469   1.623   0.356  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -2.648   0.874   0.307  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -2.601  -0.506   0.065  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -1.362  -1.134  -0.133  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        0.994   1.723   0.215  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        1.311   2.184   1.590  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        2.513   3.151   1.550  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        2.230   4.402   0.809  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        3.463   4.963   0.263  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        1.205   4.197  -0.237  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        1.128   2.771  -0.828  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1        1.468  -2.229  -0.517  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1        1.107  -0.925  -0.281  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        1.829  -0.210  -0.210  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        0.716  -3.193  -0.603  0.00  0.00    -0.270 OA
BRANCH  14  22
ATOM     18  C   LIG    1        6.457  -1.625   0.458  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        5.305  -2.180  -0.333  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.961  -1.913   0.004  0.00  0.00    +0.059 A 
ATOM     21 CL   LIG    1        3.631  -0.947   1.408  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        2.918  -2.459  -0.769  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1        3.221  -3.297  -1.855  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        4.545  -3.568  -2.187  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        5.568  -3.008  -1.431  0.00  0.00    +0.128 A 
ATOM     26  F   LIG    1        6.834  -3.284  -1.774  0.00  0.00    -0.205 F 
ENDBRANCH  14  22
ENDBRANCH   1  15
BRANCH   5  27
ATOM     27  C   LIG    1       -3.833  -1.344  -0.003  0.00  0.00    +0.344 C 
ATOM     28  O   LIG    1       -3.836  -2.512  -0.358  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -4.922  -0.593   0.403  0.00  0.00    -0.422 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -6.160  -1.248   0.374  0.00  0.00    +0.132 A 
ATOM     31  C   LIG    1       -6.858  -1.361   1.575  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -8.119  -1.955   1.578  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -8.676  -2.417   0.384  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -7.976  -2.282  -0.817  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1       -6.715  -1.688  -0.827  0.00  0.00    +0.046 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 6