REMARK  Name = BDB059899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.000   1.050  -0.218  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1       -1.348  -0.162  -0.019  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1       -0.013   0.093  -0.279  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.017  -0.859  -0.114  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        0.708  -2.072   0.259  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -0.624  -2.362   0.466  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.076   1.388  -0.711  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1       -1.660  -1.500   0.358  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1       -1.085   1.997  -0.677  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.003  -2.071   0.559  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -3.806  -2.383  -0.547  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -5.067  -2.952  -0.363  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.533  -3.215   0.924  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.741  -2.910   2.030  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.478  -2.341   1.850  0.00  0.00    +0.008 A 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  C   LIG    1       -3.410   1.382  -0.000  0.00  0.00    +0.360 C 
ATOM     17  O   LIG    1       -4.198   0.696   0.639  0.00  0.00    -0.243 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -3.751   2.575  -0.580  0.00  0.00    -0.460 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -5.338   4.285  -1.083  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1       -5.115   2.958  -0.384  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   4  21
ATOM     21  N   LIG    1        2.321  -0.475  -0.349  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.539   0.501  -0.174  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.426  -1.326   0.057  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.730  -0.725  -0.422  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        5.262   0.436   0.173  0.00  0.00    +0.125 A 
ATOM     26  C   LIG    1        6.470   0.961  -0.296  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        7.147   0.343  -1.351  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.621  -0.798  -1.948  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.417  -1.329  -1.489  0.00  0.00    +0.009 A 
BRANCH  25  30
ATOM     30  O   LIG    1        4.509   0.987   1.179  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1        5.085   2.068   1.904  0.00  0.00    +0.277 C 
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 8