REMARK  Name = BDB038767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.628   0.053   0.258  0.00  0.00    +0.052 A 
ATOM      2  N   LIG    1        2.446  -0.801  -0.803  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1        3.264  -1.042  -1.352  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        1.185  -0.946  -1.407  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        0.036  -0.350  -0.836  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -1.233  -0.538  -1.424  0.00  0.00    +0.136 A 
ATOM      7  C   LIG    1       -1.336  -1.334  -2.570  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1       -0.203  -1.938  -3.103  0.00  0.00    +0.129 A 
ATOM      9  F   LIG    1       -0.323  -2.707  -4.194  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        0.234   0.465   0.406  0.00  0.00    +0.194 A 
ATOM     11  O   LIG    1       -0.681   0.958   1.056  0.00  0.00    -0.287 OA
ATOM     12  C   LIG    1        1.049  -1.760  -2.533  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1        1.622   0.675   0.885  0.00  0.00    +0.077 A 
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1        5.877  -0.603   2.047  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        4.573  -0.739   1.556  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        4.009   0.253   0.734  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        4.776   1.384   0.407  0.00  0.00    +0.050 A 
ATOM     18 CL   LIG    1        4.170   2.636  -0.619  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        6.078   1.520   0.899  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        6.628   0.529   1.718  0.00  0.00    +0.020 A 
BRANCH  14  22
ATOM     21  N   LIG    1        6.899  -2.450   3.555  0.00  0.00    -0.191 NA
ATOM     22  C   LIG    1        6.441  -1.623   2.883  0.00  0.00    +0.099 C 
ENDBRANCH  14  22
ENDBRANCH   1  16
BRANCH   6  23
ATOM     23  O   LIG    1       -2.301   0.108  -0.866  0.00  0.00    -0.487 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.614  -0.344  -1.198  0.00  0.00    +0.264 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.654   0.319  -0.318  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -4.335   0.829   0.950  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -5.320   1.406   1.755  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -6.635   1.469   1.302  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -7.850   2.178   2.293  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -6.974   0.956   0.052  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -5.988   0.379  -0.753  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 5