REMARK  Name = BDB062309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.859   4.239  -2.946  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.056   3.201  -1.944  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        0.061   2.538  -1.373  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.150   1.508  -0.444  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.970   0.749  -0.030  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.277   1.051  -0.434  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.466   2.130  -1.292  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.528   1.216   0.062  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -1.611   0.400   1.190  0.00  0.00    -0.332 N 
ATOM     10  H   LIG    1       -0.749   0.310   1.718  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1       -2.502  -0.750   1.373  0.00  0.00    +0.146 C 
ATOM     12  C   LIG    1       -3.901  -0.593   0.762  0.00  0.00    +0.300 C 
ATOM     13  C   LIG    1       -4.369   0.849   0.829  0.00  0.00    +0.306 C 
ATOM     14  O   LIG    1       -3.918   1.661  -0.246  0.00  0.00    -0.479 OA
ATOM     15  F   LIG    1       -3.946  -1.048  -0.518  0.00  0.00    -0.200 F 
ATOM     16  F   LIG    1       -4.776  -1.373   1.465  0.00  0.00    -0.200 F 
ATOM     17  C   LIG    1       -2.580   1.809  -0.555  0.00  0.00    +0.207 A 
ATOM     18  C   LIG    1        1.372   2.858  -1.764  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -2.355   2.803  -1.670  0.00  0.00    +0.295 A 
ATOM     20  O   LIG    1       -3.328   3.263  -2.272  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  21
ATOM     21  C   LIG    1       -1.785  -1.986   0.884  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -2.066  -3.332   1.505  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -0.742  -2.662   1.742  0.00  0.00    +0.006 C 
ENDBRANCH  11  21
BRANCH   6  24
ATOM     24  N   LIG    1        3.384   0.269  -0.055  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        4.261   0.788  -0.055  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.519  -1.133   0.084  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        4.533  -1.688   0.888  0.00  0.00    +0.110 A 
ATOM     28  C   LIG    1        4.581  -3.069   1.020  0.00  0.00    +0.148 A 
ATOM     29 CL   LIG    1        5.764  -3.885   1.972  0.00  0.00    -0.061 Cl
ATOM     30  N   LIG    1        3.716  -3.924   0.429  0.00  0.00    -0.242 NA
ATOM     31  C   LIG    1        2.754  -3.376  -0.334  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1        2.612  -2.012  -0.524  0.00  0.00    +0.044 A 
BRANCH  27  33
ATOM     33  C   LIG    1        5.485  -0.855   1.551  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        6.246  -0.137   2.052  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 4