REMARK  Name = BDB051853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.826  -1.862   1.121  0.00  0.00    +0.161 A 
ATOM      2  C   LIG    1       -0.511  -0.618   0.524  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -1.582   0.090  -0.050  0.00  0.00    +0.073 A 
ATOM      4  N   LIG    1       -1.619   1.296  -0.716  0.00  0.00    -0.351 N 
ATOM      5  H   LIG    1       -0.793   1.865  -0.876  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1       -2.890   1.617  -1.115  0.00  0.00    +0.066 A 
ATOM      7  C   LIG    1       -3.723   0.591  -0.686  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -5.094   0.686  -0.968  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.507   1.813  -1.664  0.00  0.00    +0.111 A 
ATOM     10  N   LIG    1       -4.689   2.805  -2.078  0.00  0.00    -0.261 NA
ATOM     11  C   LIG    1       -3.366   2.721  -1.808  0.00  0.00    +0.136 A 
ATOM     12  C   LIG    1       -2.903  -0.371  -0.012  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -3.185  -1.589   0.638  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -2.143  -2.321   1.210  0.00  0.00    +0.085 A 
ATOM     15 CL   LIG    1       -2.547  -3.780   2.044  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   2  16
ATOM     16  N   LIG    1        0.842  -0.210   0.570  0.00  0.00    -0.277 N 
ATOM     17  H   LIG    1        1.436  -0.847   1.097  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        1.417   0.943   0.089  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1        0.867   1.872  -0.488  0.00  0.00    -0.270 OA
BRANCH  18  20
ATOM     20  C   LIG    1        2.865   1.049   0.354  0.00  0.00    +0.058 A 
ATOM     21  C   LIG    1        3.798   0.186  -0.223  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        3.406  -0.889  -1.193  0.00  0.00    +0.066 C 
ATOM     23  N   LIG    1        5.124   0.275   0.059  0.00  0.00    -0.259 NA
ATOM     24  C   LIG    1        5.527   1.261   0.894  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        4.667   2.175   1.478  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        3.309   2.068   1.201  0.00  0.00    +0.016 A 
ENDBRANCH  18  20
ENDBRANCH   2  16
BRANCH   1  28
ATOM     27  C   LIG    1        0.652  -3.602   0.774  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        0.219  -2.578   1.676  0.00  0.00    -0.492 OA
ENDBRANCH   1  28
TORSDOF 3