REMARK  Name = BDB005596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.906   0.465   0.403  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1        0.125  -0.307   1.270  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.250  -0.438   1.050  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.887   0.208  -0.021  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -3.352   0.041  -0.184  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -4.016   0.746  -1.186  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -3.570   1.629  -1.417  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -5.473   0.820  -1.206  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -6.053  -0.540  -0.837  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.502  -1.019   0.511  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.021  -0.782   0.648  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.333  -1.481   1.766  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -3.936  -2.221   2.538  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.093   0.964  -0.895  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -1.996  -1.249   1.912  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -1.548  -1.733   2.677  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        0.284   1.096  -0.682  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        2.396   0.623   0.635  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.208   0.180  -0.508  0.00  0.00    -0.301 NA
ATOM     20  C   LIG    1        3.172  -1.273  -0.675  0.00  0.00    +0.105 C 
BRANCH  19  21
ATOM     21  C   LIG    1        4.582   0.701  -0.455  0.00  0.00    +0.084 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.833   0.864   0.668  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        5.440   0.253   0.736  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 4