REMARK  Name = BDB024758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.576   1.441   0.519  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -3.789   0.367   0.068  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.429  -0.966   0.072  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.493  -1.079  -1.032  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -3.462  -2.150  -0.081  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -2.172  -1.888   0.666  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.558  -0.653   0.075  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.175  -0.551  -0.179  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.817  -1.478   0.028  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.943  -0.908  -0.359  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1        1.699   0.361  -0.839  0.00  0.00    -0.325 N 
ATOM     12  C   LIG    1        0.350   0.614  -0.723  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -0.445   1.715  -1.045  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -1.816   1.609  -0.779  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -2.384   0.459  -0.209  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -5.779   1.350   0.751  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -4.670   3.666   1.271  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1       -3.884   2.594   0.752  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1        2.671   1.280  -1.395  0.00  0.00    +0.151 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.772   1.159  -2.910  0.00  0.00    +0.177 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.780   2.039  -3.392  0.00  0.00    -0.393 OA
ATOM     22  H   LIG    1        3.796   1.955  -4.362  0.00  0.00    +0.209 HD
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  23
ATOM     23  C   LIG    1        3.294  -1.557  -0.299  0.00  0.00    +0.109 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.147  -1.090   0.861  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1        3.656  -1.126   2.175  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.451  -0.710   3.243  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.750  -0.261   3.012  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.256  -0.234   1.714  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.462  -0.650   0.644  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  10  23
TORSDOF 6