REMARK  Name = BDB032219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.110  -0.114   0.151  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.035  -1.049   0.197  0.00  0.00    +0.215 A 
ATOM      3  N   LIG    1        1.604  -0.061  -0.616  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1        0.277   0.202  -0.603  0.00  0.00    +0.119 A 
ATOM      5  C   LIG    1       -0.649  -0.474   0.184  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1       -0.162  -1.486   1.017  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        1.198  -1.780   1.024  0.00  0.00    +0.067 A 
BRANCH   2   8
ATOM      8  O   LIG    1        3.374  -1.375   0.250  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1        4.215  -0.636  -0.645  0.00  0.00    +0.234 C 
BRANCH   9  14
ATOM     10  C   LIG    1        8.865   0.143  -0.607  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1        7.420   0.194  -0.403  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1        6.765   0.983  -1.455  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1        5.410   1.566  -1.031  0.00  0.00    +0.022 C 
ATOM     14  C   LIG    1        4.682   0.689  -0.009  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        5.586   0.442   1.218  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1        7.077   0.672   0.935  0.00  0.00    +0.084 C 
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  N   LIG    1       -2.891  -1.273  -0.263  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1       -2.434  -1.802  -1.003  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -4.266  -1.148  -0.485  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -5.064  -0.156   0.106  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -6.473  -0.088  -0.074  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1       -7.069  -1.085  -0.876  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -8.446  -1.027  -1.093  0.00  0.00    +0.119 A 
ATOM     24  N   LIG    1       -9.259  -0.074  -0.596  0.00  0.00    -0.262 NA
ATOM     25  C   LIG    1       -8.676   0.868   0.171  0.00  0.00    +0.117 A 
ATOM     26  C   LIG    1       -6.289  -2.107  -1.434  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -7.316   0.906   0.493  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.910  -2.143  -1.224  0.00  0.00    +0.023 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -6.813   2.031   1.356  0.00  0.00    +0.193 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -7.742   2.353   2.388  0.00  0.00    -0.390 OA
ATOM     31  H   LIG    1       -7.936   1.526   2.864  0.00  0.00    +0.210 HD
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 8