REMARK  Name = BDB026790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.703   1.181  -0.798  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -0.019  -0.142  -0.721  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1        1.538  -0.019  -0.866  0.00  0.00    +0.174 C 
ATOM      4  O   LIG    1        2.060   0.993   0.011  0.00  0.00    -0.357 OA
ATOM      5  C   LIG    1        1.504   2.257  -0.328  0.00  0.00    +0.215 C 
ATOM      6  C   LIG    1       -0.039   2.334  -0.360  0.00  0.00    +0.246 C 
ATOM      7  O   LIG    1       -0.638   3.387  -0.135  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.458  -0.968   0.486  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -0.389  -0.469   1.794  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.772  -1.255   2.884  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.223  -2.554   2.677  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -1.691  -3.525   4.018  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.297  -3.073   1.388  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.917  -2.285   0.299  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1        2.298  -1.322  -0.687  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        2.375  -2.238  -1.749  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        3.042  -3.453  -1.585  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        3.117  -4.564  -2.897  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        3.640  -3.775  -0.370  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.571  -2.875   0.691  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.906  -1.657   0.534  0.00  0.00    +0.006 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1       -2.171   1.276  -1.044  0.00  0.00    +0.102 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -4.055   0.606  -2.652  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -2.659   0.294  -2.128  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -3.027   1.196   0.247  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -2.635   2.128   1.251  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -2.122   2.845   0.822  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  28
ATOM     28  C   LIG    1        2.137   3.361   0.514  0.00  0.00    +0.161 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.619   3.407   1.921  0.00  0.00    +0.308 C 
ATOM     30  O   LIG    1        1.155   2.492   2.576  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        1.766   4.629   2.472  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        1.386   4.530   3.371  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9