REMARK  Name = BDB051421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.148  -0.279   1.131  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.421  -1.332   0.575  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        0.960  -1.224   0.372  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        1.646  -0.051   0.694  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.911   0.981   1.290  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -0.472   0.880   1.497  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.029   0.094   0.583  0.00  0.00    -0.340 N 
ATOM      8  H   LIG    1        3.317   1.067   0.513  0.00  0.00    +0.146 HD
BRANCH   7   9
ATOM      9  C   LIG    1        3.783  -0.768  -0.317  0.00  0.00    +0.136 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.213  -0.284  -0.388  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1        6.075  -0.463   0.705  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        7.393  -0.009   0.651  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        7.862   0.634  -0.494  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        7.013   0.826  -1.582  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        5.694   0.372  -1.530  0.00  0.00    +0.005 A 
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  O   LIG    1       -2.484  -0.524   1.266  0.00  0.00    -0.477 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -3.343   0.523   1.745  0.00  0.00    +0.285 C 
BRANCH  17  19
ATOM     18  O   LIG    1       -5.502   0.488   2.873  0.00  0.00    -0.247 OA
ATOM     19  C   LIG    1       -4.600  -0.129   2.323  0.00  0.00    +0.346 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -4.626  -1.477   2.179  0.00  0.00    -0.478 OA
ATOM     21  H   LIG    1       -3.825  -1.764   1.686  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
BRANCH  17  22
ATOM     22  C   LIG    1       -3.729   1.519   0.641  0.00  0.00    +0.091 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.377   0.886  -0.572  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1       -5.769   0.744  -0.644  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.362   0.142  -1.754  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.572  -0.322  -2.804  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.187  -0.184  -2.744  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.591   0.416  -1.634  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9