REMARK  Name = BDB064042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.347   0.354   0.930  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1        1.081   1.663   1.163  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.222   2.042   1.521  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        2.200   2.394   0.941  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.361   3.592   1.059  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        3.179   1.353   0.526  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        4.433   1.665   0.173  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        2.574   0.114   0.565  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        5.483   0.732  -0.265  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        6.418   1.174  -1.213  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        7.449   0.334  -1.637  0.00  0.00    +0.163 A 
ATOM     12  O   LIG    1        8.299   0.835  -2.590  0.00  0.00    -0.485 OA
ATOM     13  C   LIG    1        9.080  -0.206  -3.188  0.00  0.00    +0.270 C 
ATOM     14  C   LIG    1        9.645  -1.131  -2.123  0.00  0.00    +0.270 C 
ATOM     15  O   LIG    1        8.591  -1.809  -1.431  0.00  0.00    -0.485 OA
ATOM     16  C   LIG    1        7.583  -0.944  -1.088  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1        6.664  -1.394  -0.145  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1        5.623  -0.556   0.269  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  19
ATOM     19  N   LIG    1        0.420  -0.622   1.117  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1        0.792  -1.559   0.999  0.00  0.00    +0.155 HD
BRANCH  19  24
ATOM     21  C   LIG    1       -3.836  -0.494   0.730  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1       -3.022   0.474   0.124  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -1.621   0.449   0.228  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -0.973  -0.558   0.941  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1       -1.769  -1.530   1.551  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1       -3.168  -1.495   1.448  0.00  0.00    +0.025 A 
BRANCH  21  31
ATOM     27  C   LIG    1       -9.190   0.560   0.329  0.00  0.00    +0.105 C 
ATOM     28  N   LIG    1       -8.201  -0.514   0.323  0.00  0.00    -0.302 NA
ATOM     29  C   LIG    1       -7.256  -0.386  -0.806  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1       -5.888   0.256  -0.473  0.00  0.00    +0.120 C 
ATOM     31  N   LIG    1       -5.214  -0.456   0.628  0.00  0.00    -0.327 N 
ATOM     32  C   LIG    1       -6.085  -1.218   1.539  0.00  0.00    +0.120 C 
ATOM     33  C   LIG    1       -7.488  -0.572   1.617  0.00  0.00    +0.103 C 
ENDBRANCH  21  31
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 4