REMARK  Name = BDB041031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.156  -1.607  -0.140  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1       -0.274  -1.554  -0.742  0.00  0.00    +0.083 C 
ATOM      3  C   LIG    1       -0.968  -2.868  -0.541  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.317  -3.313  -0.605  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -2.407  -4.639  -0.420  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -1.134  -5.047  -0.262  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -0.867  -6.448  -0.051  0.00  0.00    +0.174 C 
ATOM      8  C   LIG    1       -3.555  -2.532  -0.864  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1       -0.242  -4.021  -0.352  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        1.128  -4.104  -0.335  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        1.615  -4.986  -0.427  0.00  0.00    +0.156 HD
ATOM     12  C   LIG    1        1.868  -2.950  -0.462  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        3.066  -3.013  -0.749  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -1.151  -0.467  -0.149  0.00  0.00    -0.038 A 
ATOM     15  C   LIG    1       -1.441  -0.399   1.222  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -2.248   0.620   1.735  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -2.786   1.603   0.894  0.00  0.00    -0.045 A 
ATOM     18  C   LIG    1       -2.491   1.543  -0.473  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -1.683   0.526  -0.987  0.00  0.00    +0.004 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -3.659   2.723   1.432  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1       -2.889   3.614   2.410  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -4.936   2.180   2.078  0.00  0.00    +0.012 C 
ENDBRANCH  17  20
ENDBRANCH   2  14
BRANCH   1  24
ATOM     23  C   LIG    1        2.295   0.574   0.164  0.00  0.00    +0.245 C 
ATOM     24  N   LIG    1        2.015  -0.519  -0.628  0.00  0.00    -0.299 N 
ATOM     25  H   LIG    1        2.718  -0.789  -1.308  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1        1.791   0.756   1.266  0.00  0.00    -0.270 OA
BRANCH  23  30
ATOM     27  C   LIG    1        5.691   4.129   1.070  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        4.966   3.253   0.092  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1        4.004   2.338   0.541  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1        3.303   1.534  -0.369  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        3.543   1.672  -1.742  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        4.489   2.592  -2.195  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        5.196   3.379  -1.283  0.00  0.00    +0.003 A 
ENDBRANCH  23  30
ENDBRANCH   1  24
TORSDOF 4