REMARK  Name = BDB028385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.246  -4.847  -0.546  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -0.027  -4.176  -0.401  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -0.244  -2.854  -0.076  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.627  -2.720  -0.006  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -2.125  -4.005  -0.322  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -1.158  -4.886  -0.575  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.355  -1.508   0.338  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.963  -0.258  -0.167  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.641   0.908   0.207  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.744   0.821   1.050  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.466   2.050   1.413  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -3.980   3.217   0.878  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -4.465   4.076   1.121  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -2.883   3.341   0.082  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -5.447   2.019   2.148  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -4.164  -0.420   1.540  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -2.228   2.261  -0.242  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -3.467  -1.579   1.189  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -0.975   2.386  -1.116  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -0.652   3.795  -1.378  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -1.487   4.228  -1.782  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -0.570   4.265  -0.473  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        0.829  -1.891   0.162  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        1.037  -1.370   1.444  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        2.014  -0.396   1.657  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        2.776   0.073   0.588  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1        2.596  -0.460  -0.688  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        1.621  -1.438  -0.901  0.00  0.00    +0.013 A 
BRANCH  26  29
ATOM     29  O   LIG    1        3.713   1.032   0.873  0.00  0.00    -0.489 OA
BRANCH  29  30
ATOM     30  C   LIG    1        3.778   2.101  -0.095  0.00  0.00    +0.174 C 
ATOM     31  C   LIG    1        4.997   2.131  -0.975  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1        4.869   3.108   0.156  0.00  0.00    +0.048 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   3  23
TORSDOF 6