REMARK  Name = BDB009051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.407  -1.869   0.854  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.905  -1.829   0.376  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.961  -2.406   1.101  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.678  -3.058   2.308  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.371  -3.118   2.784  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.667  -2.528   2.061  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.465  -0.470  -0.930  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.504  -1.294   0.181  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.406  -1.425   0.620  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        0.466  -0.022  -1.480  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        5.301   0.764  -2.444  0.00  0.00    -0.045 A 
ATOM     12  C   LIG    1        5.120  -0.543  -1.964  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        3.879  -0.959  -1.472  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.802  -0.066  -1.448  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        2.966   1.231  -1.942  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        4.208   1.645  -2.429  0.00  0.00    +0.004 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.592   1.620  -4.440  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1        6.661   1.191  -2.972  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.271   2.297  -2.108  0.00  0.00    +0.012 C 
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.374  -2.348   0.567  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.351  -1.658   1.515  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.516  -0.171   1.457  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -3.703   0.661   0.504  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -3.786   2.166   0.779  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.212   2.593   1.102  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.747   1.838   2.320  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.425   0.370   2.287  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -6.180  -0.494   3.228  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -7.005  -0.033   4.010  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -5.896  -1.831   3.173  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -6.403  -2.440   3.806  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -5.009  -2.427   2.333  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5