REMARK  Name = BDB003003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.580  -0.135  -0.835  0.00  0.00    +0.436 C 
ATOM      2  O   LIG    1       -2.395   1.073  -0.999  0.00  0.00    -0.426 OA
ATOM      3  C   LIG    1       -3.372   0.880  -0.072  0.00  0.00    +0.170 A 
ATOM      4  C   LIG    1       -3.183  -0.275   0.649  0.00  0.00    +0.169 A 
ATOM      5  C   LIG    1       -4.053  -0.659   1.647  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -5.149   0.170   1.906  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -5.337   1.350   1.164  0.00  0.00    +0.045 A 
ATOM      8 CL   LIG    1       -6.691   2.357   1.503  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -4.440   1.719   0.159  0.00  0.00    +0.069 A 
ATOM     10  O   LIG    1       -2.069  -0.949   0.268  0.00  0.00    -0.426 OA
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        1.948   0.285  -0.057  0.00  0.00    -0.251 N 
ATOM     12  H   LIG    1        1.831   1.215   0.310  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1        0.816  -0.429  -0.363  0.00  0.00    +0.311 C 
ATOM     14  N   LIG    1       -0.274   0.400  -0.457  0.00  0.00    -0.220 N 
ATOM     15  H   LIG    1       -0.097   1.307  -0.855  0.00  0.00    +0.158 HD
ATOM     16  O   LIG    1        0.723  -1.635  -0.526  0.00  0.00    -0.252 OA
BRANCH  11  21
ATOM     17  C   LIG    1        6.832  -0.355   0.678  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1        5.393  -0.414   0.372  0.00  0.00    +0.136 A 
ATOM     19  O   LIG    1        4.934  -1.581  -0.148  0.00  0.00    -0.358 OA
ATOM     20  N   LIG    1        3.578  -1.477  -0.380  0.00  0.00    -0.063 NA
ATOM     21  C   LIG    1        3.220  -0.251   0.010  0.00  0.00    +0.169 A 
ATOM     22  C   LIG    1        4.346   0.466   0.488  0.00  0.00    +0.091 A 
ENDBRANCH  11  21
ENDBRANCH   1  14
BRANCH   1  23
ATOM     23  C   LIG    1       -1.641  -0.941  -2.192  0.00  0.00    +0.490 C 
ATOM     24  F   LIG    1       -1.251  -2.228  -2.102  0.00  0.00    -0.162 F 
ATOM     25  F   LIG    1       -0.874  -0.340  -3.142  0.00  0.00    -0.162 F 
ATOM     26  F   LIG    1       -2.910  -0.961  -2.687  0.00  0.00    -0.162 F 
ENDBRANCH   1  23
TORSDOF 3