REMARK  Name = BDB009072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.271   0.156  -0.947  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.950   0.337  -1.385  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.096  -0.758  -1.602  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.596  -2.050  -1.409  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.907  -2.239  -0.974  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.739  -1.141  -0.740  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        5.071   0.462  -0.007  0.00  0.00    -0.266 OA
ATOM      8  C   LIG    1        4.355   1.410  -0.310  0.00  0.00    +0.286 C 
ATOM      9  N   LIG    1        3.044   1.317  -0.749  0.00  0.00    -0.279 N 
ATOM     10  H   LIG    1        2.589   2.200  -0.952  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.833   2.773  -0.226  0.00  0.00    +0.222 A 
ATOM     12  O   LIG    1        3.998   3.800  -0.564  0.00  0.00    -0.350 OA
ATOM     13  N   LIG    1        4.658   5.007  -0.406  0.00  0.00    -0.086 NA
ATOM     14  C   LIG    1        5.881   4.687   0.023  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.047   3.299   0.155  0.00  0.00    +0.077 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -1.319  -0.538  -2.084  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.367  -1.318  -1.294  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -2.707  -0.902   0.104  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -2.074   0.310   0.728  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -2.789   0.778   1.999  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -3.129  -0.401   2.902  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.030  -1.403   2.177  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.604  -1.660   0.758  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.229  -2.825   0.082  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -5.060  -3.530   0.645  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -3.829  -3.055  -1.206  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -4.243  -3.848  -1.685  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -2.908  -2.335  -1.898  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4