REMARK  Name = BDB023000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.076  -1.050  -0.525  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.798  -1.460  -0.149  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -0.540  -2.889  -0.118  0.00  0.00    +0.085 C 
ATOM      4  C   LIG    1        0.867  -3.410   0.059  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1        1.931  -2.375   0.238  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        1.625  -1.041   0.460  0.00  0.00    +0.067 A 
ATOM      7  N   LIG    1        2.566  -0.080   0.639  0.00  0.00    -0.217 NA
ATOM      8  C   LIG    1        3.856  -0.449   0.579  0.00  0.00    +0.220 A 
ATOM      9  N   LIG    1        4.248  -1.711   0.359  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        3.283  -2.638   0.194  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        0.166  -3.558  -1.265  0.00  0.00    +0.033 C 
ATOM     12  C   LIG    1        0.176  -0.603   0.548  0.00  0.00    +0.163 C 
ATOM     13  O   LIG    1       -2.896  -1.854  -0.980  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  18
ATOM     14  C   LIG    1       -4.669   2.220  -2.826  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -3.878   2.714  -1.701  0.00  0.00    -0.305 NA
ATOM     16  C   LIG    1       -4.314   2.141  -0.418  0.00  0.00    +0.093 C 
ATOM     17  C   LIG    1       -3.925   0.659  -0.202  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -2.413   0.443  -0.452  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -1.977   1.081  -1.780  0.00  0.00    +0.029 C 
ATOM     20  C   LIG    1       -2.439   2.531  -1.900  0.00  0.00    +0.085 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -4.330   0.180   1.191  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -5.144  -0.956   1.319  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.519  -1.430   2.578  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.082  -0.776   3.727  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.268   0.349   3.618  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.892   0.822   2.360  0.00  0.00    +0.004 A 
ENDBRANCH  17  21
ENDBRANCH   1  18
BRANCH   8  27
ATOM     27  N   LIG    1        4.781   0.579   0.765  0.00  0.00    -0.281 N 
ATOM     28  H   LIG    1        4.265   1.436   0.911  0.00  0.00    +0.155 HD
BRANCH  27  29
ATOM     29  C   LIG    1        6.126   0.563   0.767  0.00  0.00    +0.071 A 
ATOM     30  C   LIG    1        6.918   1.669   0.964  0.00  0.00    +0.131 A 
ATOM     31  N   LIG    1        8.206   1.223   0.892  0.00  0.00    -0.273 N 
ATOM     32  C   LIG    1        9.406   2.010   1.034  0.00  0.00    +0.172 C 
ATOM     33  N   LIG    1        8.308  -0.099   0.661  0.00  0.00    -0.178 NA
ATOM     34  C   LIG    1        7.034  -0.501   0.585  0.00  0.00    +0.157 A 
ENDBRANCH  27  29
ENDBRANCH   8  27
TORSDOF 4