REMARK  Name = BDB046003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.896   1.585  -0.435  0.00  0.00    +0.168 A 
ATOM      2  C   LIG    1       -2.051   0.922  -0.943  0.00  0.00    +0.084 A 
ATOM      3  C   LIG    1       -2.797   1.915  -1.525  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -2.097   3.070  -1.354  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1       -2.356   4.002  -1.661  0.00  0.00    +0.188 HD
ATOM      6  N   LIG    1       -0.931   2.909  -0.700  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.284  -0.250   0.487  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.225   0.960   0.281  0.00  0.00    +0.266 C 
ATOM      9  N   LIG    1        1.193   1.859   0.676  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        1.059   2.804   0.322  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.471   1.448   1.226  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        3.419   0.944   0.126  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1        4.867   1.380   0.353  0.00  0.00    +0.082 C 
ATOM     14  N   LIG    1        5.254   1.272   1.756  0.00  0.00    -0.316 NA
ATOM     15  H   LIG    1        5.163   0.300   2.054  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.441   2.125   2.628  0.00  0.00    +0.082 C 
ATOM     17  C   LIG    1        3.109   2.579   2.028  0.00  0.00    +0.037 C 
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   2  18
ATOM     18  N   LIG    1       -2.329  -0.432  -0.853  0.00  0.00    -0.278 N 
ATOM     19  H   LIG    1       -1.622  -0.987  -0.374  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -3.455  -1.044  -1.359  0.00  0.00    +0.251 C 
ATOM     21  O   LIG    1       -4.391  -0.530  -1.959  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -3.494  -2.496  -1.124  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -2.923  -3.371  -2.054  0.00  0.00    +0.054 A 
ATOM     24 CL   LIG    1       -2.122  -2.813  -3.479  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -2.978  -4.751  -1.836  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -3.603  -5.257  -0.696  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -4.172  -4.384   0.231  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -4.121  -3.002   0.020  0.00  0.00    +0.054 A 
ATOM     29 CL   LIG    1       -4.830  -1.979   1.217  0.00  0.00    -0.083 Cl
ENDBRANCH  20  22
ENDBRANCH   2  18
TORSDOF 4