REMARK  Name = BDB005599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.032   0.718  -0.457  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1        0.430   0.341   0.752  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.943   0.090   0.808  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.760   0.234  -0.323  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -3.213  -0.027  -0.189  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -4.056   0.203  -1.275  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -3.723   0.944  -1.887  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -5.505   0.217  -1.104  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -5.913  -0.903  -0.155  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.160  -0.790   1.175  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.700  -0.472   0.988  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -2.820  -0.647   2.175  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -3.258  -1.039   3.253  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.148   0.600  -1.531  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -1.502  -0.332   2.018  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -0.917  -0.459   2.833  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        0.229   0.846  -1.596  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        2.520   1.007  -0.521  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.356  -0.080   0.039  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1        3.294  -1.249  -0.851  0.00  0.00    +0.105 C 
BRANCH  19  22
ATOM     21  C   LIG    1        5.723  -0.771   0.611  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        4.750   0.375   0.279  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1        4.809   1.369   1.452  0.00  0.00    +0.024 C 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 3