REMARK  Name = BDB057441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.195  -0.053   0.121  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        0.571  -1.199  -0.473  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -0.399  -2.019  -0.877  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -1.760  -1.730  -0.703  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -2.732  -2.648  -1.179  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.348  -3.835  -1.798  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -0.997  -4.111  -1.950  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1       -0.504  -5.573  -2.711  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.045  -0.506  -0.068  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -0.037  -3.208  -1.495  0.00  0.00    +0.048 A 
ATOM     11  N   LIG    1       -1.071   0.321   0.349  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        1.271   0.892   0.563  0.00  0.00    +0.230 C 
ATOM     13  O   LIG    1        1.022   2.053   0.886  0.00  0.00    -0.283 OA
BRANCH  12  17
ATOM     14  C   LIG    1        5.418  -0.225   0.709  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1        4.438  -1.145   1.093  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        3.082  -0.806   1.051  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        2.693   0.460   0.607  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        3.676   1.390   0.242  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        5.033   1.047   0.286  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        7.737   0.211   0.426  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        6.701  -0.689   0.799  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH  12  17
ENDBRANCH   1  12
BRANCH   9  22
ATOM     22  N   LIG    1       -3.397  -0.159   0.178  0.00  0.00    -0.282 N 
ATOM     23  H   LIG    1       -3.836  -0.873   0.743  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.893   1.097   0.266  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1       -3.475   2.169  -0.408  0.00  0.00    -0.158 NA
ATOM     26  N   LIG    1       -4.254   3.167   0.027  0.00  0.00    -0.280 N 
ATOM     27  H   LIG    1       -4.071   4.101  -0.326  0.00  0.00    +0.189 HD
ATOM     28  C   LIG    1       -5.224   2.764   0.900  0.00  0.00    +0.035 A 
ATOM     29  C   LIG    1       -6.213   3.700   1.474  0.00  0.00    +0.065 C 
ATOM     30  C   LIG    1       -5.017   1.413   1.069  0.00  0.00    +0.068 A 
ENDBRANCH  22  24
ENDBRANCH   9  22
TORSDOF 5