REMARK  Name = BDB031796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.083   0.333   0.050  0.00  0.00    +0.154 A 
ATOM      2  C   LIG    1        0.930   0.263   0.897  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.117   1.313   0.494  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -1.121   1.596   1.081  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -1.585   0.761   2.116  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -0.759  -0.292   2.542  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1        0.800   1.916  -0.523  0.00  0.00    -0.275 N 
ATOM      8  H   LIG    1        0.517   2.724  -1.064  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1        0.487  -0.558   1.951  0.00  0.00    +0.014 A 
ATOM     10  N   LIG    1        1.970   1.341  -0.820  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.924   1.022   2.767  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -4.228   0.933   1.999  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -4.370   0.599   0.541  0.00  0.00    -0.010 A 
ATOM     14  C   LIG    1       -5.410   1.385   0.021  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -5.816   1.334  -1.295  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -5.143   0.449  -2.138  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.087  -0.355  -1.655  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1       -3.398  -1.324  -2.574  0.00  0.00    +0.044 C 
ATOM     19  N   LIG    1       -5.945   2.180   1.036  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -6.714   2.824   0.933  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1       -3.715  -0.289  -0.301  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -5.308   1.962   2.245  0.00  0.00    +0.228 C 
ATOM     23  O   LIG    1       -5.551   2.489   3.318  0.00  0.00    -0.274 OA
ATOM     24  C   LIG    1       -3.896  -0.114   3.022  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     25  N   LIG    1        3.097  -0.555   0.162  0.00  0.00    -0.279 N 
ATOM     26  H   LIG    1        3.065  -1.246   0.901  0.00  0.00    +0.155 HD
BRANCH  25  28
ATOM     27  C   LIG    1        5.185  -1.685  -0.228  0.00  0.00    +0.178 A 
ATOM     28  C   LIG    1        4.386  -0.556  -0.430  0.00  0.00    +0.170 A 
ATOM     29  N   LIG    1        4.805   0.476  -1.188  0.00  0.00    -0.214 NA
ATOM     30  C   LIG    1        6.019   0.393  -1.754  0.00  0.00    +0.128 A 
ATOM     31  C   LIG    1        6.479   1.559  -2.571  0.00  0.00    +0.088 C 
ATOM     32  N   LIG    1        6.863  -0.641  -1.605  0.00  0.00    -0.237 NA
ATOM     33  C   LIG    1        6.420  -1.661  -0.844  0.00  0.00    +0.162 A 
BRANCH  27  35
ATOM     34  C   LIG    1        5.482  -3.854   0.693  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        4.684  -2.682   0.566  0.00  0.00    -0.490 OA
ENDBRANCH  27  35
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4