REMARK  Name = BDB031747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.068  -2.225  -0.583  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.747  -1.657   0.665  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.466  -0.971   0.800  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.383  -0.836  -0.233  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        2.462  -0.075   0.322  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        2.225   0.227   1.602  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1        1.082  -1.424  -1.475  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1        1.024  -0.311   1.857  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1        0.632  -0.190   2.783  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.134  -2.110  -1.626  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.773   1.570  -0.274  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -3.296   0.334  -0.736  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -3.944  -0.833  -0.357  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -3.716  -2.287  -0.657  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -2.369  -2.972  -0.770  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1       -4.849  -2.990   0.056  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1       -5.590  -2.015   0.700  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -6.412  -2.228   1.244  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -5.047  -4.193   0.052  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -3.226  -2.747  -2.000  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -5.076  -0.739   0.465  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -5.576   0.457   0.935  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -4.907   1.626   0.557  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1       -3.453   3.930  -0.245  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.049   2.648  -0.708  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1        3.542   0.288  -0.426  0.00  0.00    -0.283 N 
ATOM     27  H   LIG    1        3.387   0.229  -1.428  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.625   1.034  -0.067  0.00  0.00    +0.122 A 
ATOM     29  N   LIG    1        5.282   1.011   1.145  0.00  0.00    -0.253 N 
ATOM     30  C   LIG    1        5.107   0.113   2.261  0.00  0.00    +0.174 C 
ATOM     31  N   LIG    1        6.325   1.876   1.199  0.00  0.00    -0.175 NA
ATOM     32  C   LIG    1        6.360   2.428  -0.017  0.00  0.00    +0.062 A 
ATOM     33  C   LIG    1        7.391   3.438  -0.347  0.00  0.00    +0.067 C 
ATOM     34  C   LIG    1        5.342   1.916  -0.848  0.00  0.00    +0.068 A 
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 4