REMARK  Name = BDB051623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.112  -0.189  -0.585  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1       -1.297  -0.070  -1.716  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        0.070  -0.374  -1.639  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        0.640  -0.802  -0.439  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -0.178  -0.921   0.690  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -1.542  -0.618   0.621  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.731   0.374   0.856  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -5.523   0.319   0.127  0.00  0.00    +0.105 A 
ATOM      9  C   LIG    1       -5.519   0.670  -1.270  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -4.237   0.533  -1.723  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1       -3.503   0.113  -0.634  0.00  0.00    -0.239 N 
ATOM     12  C   LIG    1       -6.596   1.078  -2.048  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -7.786   1.120  -1.294  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -4.266   0.010   0.486  0.00  0.00    -0.166 NA
ATOM     15  C   LIG    1       -7.856   0.785   0.093  0.00  0.00    +0.015 A 
BRANCH   7  19
ATOM     16  N   LIG    1       -7.713   0.743   3.029  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1       -8.052   1.642   2.719  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -7.670   0.579   4.027  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1       -6.824   0.015   2.280  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -6.167  -0.879   2.792  0.00  0.00    -0.270 OA
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  N   LIG    1        2.003  -1.127  -0.282  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1        2.282  -1.412   0.647  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        3.005  -1.071  -1.242  0.00  0.00    +0.231 C 
ATOM     24  O   LIG    1        2.867  -0.726  -2.413  0.00  0.00    -0.274 OA
BRANCH  23  25
ATOM     25  C   LIG    1        4.376  -1.500  -0.689  0.00  0.00    +0.180 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.221  -0.334  -0.371  0.00  0.00    -0.294 NA
ATOM     27  C   LIG    1        6.605  -0.725  -0.115  0.00  0.00    +0.085 C 
ATOM     28  C   LIG    1        7.515   0.509  -0.113  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1        6.863   1.742   0.517  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        5.725   1.342   1.444  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1        4.672   0.499   0.710  0.00  0.00    +0.085 C 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   4  21
TORSDOF 5