REMARK  Name = BDB043940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.949  -2.869  -0.562  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.115  -1.598  -0.008  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.343  -0.501  -0.447  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1       -0.385  -0.713  -1.465  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -0.225  -1.989  -2.019  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.001  -3.056  -1.567  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.478   0.361  -1.970  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        1.609   0.791  -1.392  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1        2.330   0.372  -0.187  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.422   1.245  -0.077  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.342   1.167   0.952  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        4.151   0.164   1.903  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        3.065  -0.718   1.792  0.00  0.00    +0.124 A 
ATOM     14  F   LIG    1        2.909  -1.672   2.719  0.00  0.00    -0.205 F 
ATOM     15  N   LIG    1        3.433   2.156  -1.129  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1        4.117   2.882  -1.279  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        2.146  -0.629   0.747  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1        2.366   1.948  -1.988  0.00  0.00    +0.249 C 
ATOM     19  O   LIG    1        2.101   2.567  -3.000  0.00  0.00    -0.270 OA
ENDBRANCH   4   7
BRANCH   3  20
ATOM     20  C   LIG    1       -1.556   0.817   0.177  0.00  0.00    -0.017 A 
ATOM     21  C   LIG    1       -2.120   1.879  -0.550  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.312   3.131   0.042  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.946   3.331   1.370  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.180   4.871   2.100  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.393   2.291   2.112  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.202   1.040   1.519  0.00  0.00    +0.010 A 
ENDBRANCH   3  20
BRANCH   1  28
ATOM     27  C   LIG    1       -3.634  -3.858   0.794  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -2.640  -3.996  -0.213  0.00  0.00    -0.495 OA
ENDBRANCH   1  28
TORSDOF 3