REMARK  Name = BDB041044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.062   0.245   0.324  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1        0.846  -0.206  -0.939  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1        0.914   0.827  -2.098  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1        1.319   0.500  -3.219  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1        0.691   2.159  -1.844  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        0.845   2.806  -2.606  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1        0.293   2.562  -0.601  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        0.097   3.836  -0.153  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1        0.267   5.072  -0.875  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1       -0.311   3.876   1.132  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1       -0.376   2.588   1.502  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -0.813   2.223   2.872  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -0.013   1.726   0.440  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -3.996  -1.333   0.363  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1       -3.665  -0.308  -0.544  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1       -2.361   0.206  -0.567  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1       -1.377  -0.263   0.324  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1       -1.725  -1.288   1.215  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -3.019  -1.816   1.237  0.00  0.00    +0.050 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -5.649  -2.840   1.200  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -5.290  -1.788   0.316  0.00  0.00    -0.491 OA
ENDBRANCH  14  21
BRANCH  15  22
ATOM     22  O   LIG    1       -4.675   0.110  -1.377  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -4.442   1.271  -2.160  0.00  0.00    +0.277 C 
ENDBRANCH  15  22
ENDBRANCH   1  17
BRANCH   2  24
ATOM     24  N   LIG    1        2.250  -0.572  -0.665  0.00  0.00    -0.299 N 
ATOM     25  H   LIG    1        2.909  -0.359  -1.407  0.00  0.00    +0.150 HD
ATOM     26  C   LIG    1        2.547  -1.666   0.122  0.00  0.00    +0.245 C 
ATOM     27  O   LIG    1        1.699  -2.289   0.750  0.00  0.00    -0.270 OA
BRANCH  26  28
ATOM     28  C   LIG    1        3.974  -2.091   0.153  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        5.022  -1.190  -0.082  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        6.346  -1.633  -0.041  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.628  -2.970   0.242  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.590  -3.866   0.491  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        4.265  -3.428   0.452  0.00  0.00    +0.013 A 
ENDBRANCH  26  28
ENDBRANCH   2  24
TORSDOF 5