REMARK  Name = BDB031254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.937  -1.731   0.402  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        1.962  -0.723   0.260  0.00  0.00    +0.104 A 
ATOM      3  N   LIG    1        2.080   0.641   0.270  0.00  0.00    -0.231 NA
ATOM      4  C   LIG    1        0.867   1.143   0.130  0.00  0.00    +0.118 A 
ATOM      5  N   LIG    1       -0.061   0.120  -0.040  0.00  0.00    -0.296 N 
ATOM      6  C   LIG    1        0.624  -1.084   0.101  0.00  0.00    +0.074 A 
ATOM      7  C   LIG    1        0.213  -2.428   0.040  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        1.189  -3.417   0.186  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        2.529  -3.079   0.366  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -1.447   0.224  -0.309  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.359  -0.417   0.545  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.688  -0.288   0.221  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -4.118   0.423  -0.899  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -5.505   0.357  -0.940  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -6.119   0.767  -1.625  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -5.955  -0.393   0.157  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -7.111  -0.652   0.437  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -3.242   1.040  -1.760  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -4.812  -0.787   0.869  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -4.843  -1.339   1.710  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -1.879   0.932  -1.457  0.00  0.00    +0.028 A 
ENDBRANCH   5  10
BRANCH   4  22
ATOM     22  C   LIG    1        0.610   2.623   0.307  0.00  0.00    +0.049 C 
ATOM     23  C   LIG    1        0.626   3.396  -1.008  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -0.601   2.967   1.168  0.00  0.00    +0.015 C 
ENDBRANCH   4  22
BRANCH   1  25
ATOM     25  C   LIG    1        4.363  -1.363   0.552  0.00  0.00    +0.341 C 
ATOM     26  O   LIG    1        4.885  -0.348   0.125  0.00  0.00    -0.245 OA
BRANCH  25  28
ATOM     27  C   LIG    1        6.392  -2.084   1.460  0.00  0.00    +0.280 C 
ATOM     28  O   LIG    1        5.005  -2.346   1.242  0.00  0.00    -0.464 OA
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4