REMARK  Name = BDB045740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.427   2.454  -0.927  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.403   1.421  -0.422  0.00  0.00    -0.042 A 
ATOM      3  C   LIG    1       -2.045   0.209   0.233  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -3.116  -0.537   0.793  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -2.847  -1.701   1.676  0.00  0.00    +0.257 A 
ATOM      6  N   LIG    1       -1.539  -2.002   1.943  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1       -1.402  -2.795   2.556  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -0.455  -1.385   1.320  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        0.818  -1.898   1.581  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        1.950  -1.405   0.910  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        1.777  -0.407  -0.063  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        0.477   0.085  -0.301  0.00  0.00    +0.034 A 
ATOM     13  O   LIG    1       -3.752  -2.362   2.176  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -4.463  -0.187   0.603  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -4.788   0.942  -0.127  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -0.661  -0.332   0.417  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -3.767   1.743  -0.620  0.00  0.00    +0.004 A 
ENDROOT
BRANCH  11  18
ATOM     18  N   LIG    1        2.901   0.071  -0.781  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        3.802  -0.363  -0.577  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        2.962   1.072  -1.739  0.00  0.00    +0.232 C 
ATOM     21  O   LIG    1        2.020   1.768  -2.113  0.00  0.00    -0.274 OA
BRANCH  20  22
ATOM     22  C   LIG    1        4.361   1.350  -2.271  0.00  0.00    +0.204 C 
ATOM     23 CL   LIG    1        5.354  -0.123  -2.331  0.00  0.00    -0.116 Cl
ENDBRANCH  20  22
ENDBRANCH  11  18
BRANCH  10  24
ATOM     24  C   LIG    1        3.278  -2.033   1.246  0.00  0.00    +0.419 C 
ATOM     25  F   LIG    1        3.407  -3.280   0.716  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        4.353  -1.325   0.794  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        3.470  -2.175   2.587  0.00  0.00    -0.166 F 
ENDBRANCH  10  24
TORSDOF 3