REMARK  Name = BDB046596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.117  -0.675  -0.707  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1       -1.901   0.510  -0.088  0.00  0.00    +0.114 C 
ATOM      3  N   LIG    1       -3.338   0.437  -0.403  0.00  0.00    -0.336 N 
ATOM      4  H   LIG    1       -3.844   1.246  -0.048  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -3.949  -0.778  -0.074  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -3.246  -1.985  -0.085  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -3.888  -3.193   0.164  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -5.262  -3.223   0.413  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -5.986  -2.033   0.388  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.098  -4.432   0.135  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1       -3.610  -5.520   0.373  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1       -1.767  -4.289  -0.175  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -1.203  -5.132  -0.219  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -1.126  -3.119  -0.447  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -5.334  -0.823   0.128  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -1.805  -2.009  -0.388  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        3.048  -0.481   0.553  0.00  0.00    -0.033 A 
ATOM     18  C   LIG    1        2.058  -0.892   1.454  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        0.721  -0.970   1.054  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        0.346  -0.647  -0.260  0.00  0.00    -0.036 A 
ATOM     21  C   LIG    1        1.341  -0.241  -1.161  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        2.676  -0.160  -0.759  0.00  0.00    +0.005 A 
BRANCH  17  23
ATOM     23  C   LIG    1        4.500  -0.408   0.980  0.00  0.00    +0.119 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.512   1.902   1.732  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1        5.098   0.929   0.807  0.00  0.00    -0.304 NA
ATOM     26  C   LIG    1        6.545   0.858   1.009  0.00  0.00    +0.104 C 
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   2  27
ATOM     27  C   LIG    1       -1.395   1.866  -0.572  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1       -0.632   2.679   0.281  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -0.146   3.912  -0.159  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -0.415   4.348  -1.454  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.169   3.551  -2.314  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.654   2.318  -1.877  0.00  0.00    +0.005 A 
ENDBRANCH   2  27
TORSDOF 4