REMARK  Name = BDB045777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.573  -0.044  -0.369  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.026  -1.165   0.213  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.411  -1.210   0.419  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.223  -0.134   0.046  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -1.623   0.986  -0.527  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.236   1.030  -0.734  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.763   0.877  -1.157  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.973  -0.074  -0.537  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.433  -0.921  -0.230  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.388   1.888  -1.738  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1        6.211  -0.216   0.003  0.00  0.00    +0.162 A 
ATOM     12  C   LIG    1        6.949   0.049  -1.161  0.00  0.00    +0.158 A 
ATOM     13  C   LIG    1        6.343   0.595  -2.293  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        4.977   0.869  -2.275  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        4.222   0.583  -1.133  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1        4.840   0.055   0.012  0.00  0.00    +0.062 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.252  -0.819   2.313  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        6.912  -0.740   1.057  0.00  0.00    -0.491 OA
ENDBRANCH  11  18
BRANCH  12  19
ATOM     19  O   LIG    1        8.291  -0.225  -1.176  0.00  0.00    -0.503 OA
ATOM     20  H   LIG    1        8.664   0.049  -2.028  0.00  0.00    +0.292 HD
ENDBRANCH  12  19
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   4  21
ATOM     21  N   LIG    1       -3.606  -0.253   0.292  0.00  0.00    -0.282 N 
ATOM     22  H   LIG    1       -3.904  -1.125   0.709  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1       -4.601   0.642  -0.058  0.00  0.00    +0.248 C 
ATOM     24  O   LIG    1       -4.471   1.674  -0.705  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -5.971   0.255   0.382  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -7.051   0.547  -0.460  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -8.348   0.197  -0.082  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -8.571  -0.435   1.142  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.500  -0.711   1.994  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.200  -0.363   1.619  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH   4  21
TORSDOF 6