REMARK  Name = BDB032519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.567  -0.614  -0.327  0.00  0.00    -0.339 N 
ATOM      2  H   LIG    1        2.409   0.126  -1.007  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   9
ATOM      3  C   LIG    1        6.583  -0.605   1.034  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1        6.319  -0.338  -0.345  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        4.966  -0.358  -0.791  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        4.723  -0.149  -2.162  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        5.772   0.102  -3.024  0.00  0.00    +0.113 A 
ATOM      8  N   LIG    1        7.050   0.162  -2.633  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1        3.899  -0.595   0.131  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1        4.220  -0.905   1.456  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        7.315  -0.059  -1.332  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1        5.537  -0.899   1.908  0.00  0.00    +0.048 A 
BRANCH  11  13
ATOM     13  N   LIG    1        8.683  -0.001  -1.002  0.00  0.00    -0.343 N 
ATOM     14  H   LIG    1        8.924  -0.890  -0.570  0.00  0.00    +0.144 HD
ATOM     15  H   LIG    1        8.784   0.684  -0.256  0.00  0.00    +0.144 HD
ENDBRANCH  11  13
BRANCH   3  17
ATOM     16  C   LIG    1        8.194  -0.802   2.807  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        7.901  -0.574   1.434  0.00  0.00    -0.494 OA
ENDBRANCH   3  17
ENDBRANCH   1   9
BRANCH   1  18
ATOM     18  C   LIG    1        1.453  -0.710   0.607  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.161  -0.644  -0.167  0.00  0.00    -0.024 A 
ATOM     20  C   LIG    1       -0.682   0.467  -0.072  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -1.855   0.479  -0.811  0.00  0.00    +0.215 A 
ATOM     22  N   LIG    1       -2.234  -0.522  -1.632  0.00  0.00    -0.221 NA
ATOM     23  C   LIG    1       -1.406  -1.583  -1.716  0.00  0.00    +0.115 A 
ATOM     24  C   LIG    1       -0.215  -1.690  -1.015  0.00  0.00    +0.025 A 
BRANCH  21  25
ATOM     25  O   LIG    1       -2.646   1.601  -0.669  0.00  0.00    -0.476 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.885   1.560  -1.382  0.00  0.00    +0.234 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.979   0.847  -0.575  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1       -5.181   1.496   0.810  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1       -6.628   1.413   1.314  0.00  0.00    +0.084 C 
ATOM     30  N   LIG    1       -7.239   0.151   0.904  0.00  0.00    -0.305 NA
ATOM     31  C   LIG    1       -8.513  -0.080   1.575  0.00  0.00    +0.104 C 
ATOM     32  C   LIG    1       -7.386   0.059  -0.557  0.00  0.00    +0.084 C 
ATOM     33  C   LIG    1       -6.302   0.813  -1.341  0.00  0.00    +0.022 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8