REMARK  Name = BDB028153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.062   0.420   0.645  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.872  -0.289   0.110  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.096  -1.301  -0.818  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.024  -2.010  -1.367  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.281  -1.701  -0.982  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.534  -0.683  -0.048  0.00  0.00    -0.015 A 
ATOM      7  C   LIG    1       -3.477  -1.617  -1.218  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.719  -2.500  -2.033  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.463  -0.867  -0.626  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.422  -1.071  -0.890  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.559   0.018   0.496  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.279   0.129   0.282  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.901  -0.360   0.356  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.835   0.169  -0.560  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.124   0.462  -0.108  0.00  0.00    +0.065 A 
ATOM     16  N   LIG    1        4.834   0.959  -1.177  0.00  0.00    -0.359 N 
ATOM     17  H   LIG    1        5.801   1.254  -1.140  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1        4.040   1.004  -2.292  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1        4.516   0.252   1.208  0.00  0.00    +0.137 A 
ATOM     20  N   LIG    1        3.624  -0.251   2.088  0.00  0.00    -0.261 NA
ATOM     21  C   LIG    1        2.799   0.526  -1.942  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        2.374  -0.540   1.658  0.00  0.00    +0.120 A 
ENDBRANCH   6  13
BRANCH   1  23
ATOM     23  C   LIG    1       -2.843   1.541   1.667  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.122   2.125   2.090  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -4.709   1.363   2.436  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -4.615   2.429   1.247  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 3