REMARK  Name = BDB008935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.387  -0.575  -0.147  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.767  -0.960   0.548  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.737  -1.767  -0.065  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.522  -2.200  -1.381  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.379  -1.810  -2.081  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.573  -0.992  -1.470  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.998   1.040   1.454  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.369   0.302   0.547  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.682   0.197   0.132  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        2.935  -0.643  -0.371  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.736   0.881   0.859  0.00  0.00    +0.108 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.021   1.017   0.030  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1        6.050   1.910   0.749  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1        7.013   1.090   1.602  0.00  0.00    +0.081 C 
ATOM     15  N   LIG    1        7.766   0.093   0.840  0.00  0.00    -0.316 NA
ATOM     16  H   LIG    1        8.710   0.432   0.655  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        7.140  -0.301  -0.422  0.00  0.00    +0.081 C 
ATOM     18  C   LIG    1        5.621  -0.362  -0.309  0.00  0.00    +0.020 C 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -2.977  -2.181   0.692  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.274  -1.812  -0.024  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -4.741  -0.389  -0.032  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.980   0.683   0.698  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.776   1.980   0.871  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.495   2.357  -0.418  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.456   1.249  -0.853  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -5.869  -0.129  -0.716  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -6.603  -1.228  -1.391  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -7.642  -1.029  -2.010  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -6.052  -2.475  -1.273  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -6.540  -3.241  -1.726  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -4.905  -2.785  -0.613  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5