REMARK  Name = BDB045581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.708   0.400  -0.247  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -1.415  -0.099  -0.045  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.146  -1.353   0.475  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.207  -1.562   0.565  0.00  0.00    -0.228 NA
ATOM      5  C   LIG    1        0.788  -0.466   0.100  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1       -2.212  -2.194   0.820  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.521  -1.737   0.617  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.174   0.441  -0.279  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1       -0.027   1.359  -0.678  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -3.765  -0.463   0.089  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        2.235  -0.239  -0.002  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        2.782   0.938  -0.536  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        4.170   1.111  -0.613  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        5.022   0.108  -0.157  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        6.726   0.325  -0.254  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        4.501  -1.067   0.374  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        3.115  -1.237   0.450  0.00  0.00    +0.013 A 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     18  N   LIG    1       -4.126   2.319  -0.791  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -4.896   1.945  -0.257  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -4.192   3.286  -1.085  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -2.878   1.766  -0.803  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -1.917   2.395  -1.234  0.00  0.00    -0.270 OA
ENDBRANCH   1  21
TORSDOF 2