REMARK  Name = BDB024756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.699  -0.888   0.433  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -3.783  -0.134  -0.322  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.219   0.269  -1.676  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.304   1.357  -1.616  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -3.095   0.773  -2.596  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -1.825  -0.019  -2.373  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.429   0.168  -0.937  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.089   0.380  -0.551  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        1.035   0.461  -1.333  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        2.044   0.682  -0.512  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1        1.601   0.721   0.795  0.00  0.00    -0.316 N 
ATOM     12  C   LIG    1        0.233   0.544   0.790  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -0.732   0.519   1.799  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.059   0.299   1.406  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -2.422   0.103   0.066  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -5.864  -1.081   0.090  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -5.087  -2.276   2.289  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1       -4.175  -1.458   1.556  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1        2.417   0.866   1.988  0.00  0.00    +0.243 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.749   2.300   2.292  0.00  0.00    +0.325 C 
ATOM     21  O   LIG    1        2.711   3.257   1.538  0.00  0.00    -0.249 OA
BRANCH  20  22
ATOM     22  O   LIG    1        3.177   2.464   3.563  0.00  0.00    -0.479 OA
ATOM     23  H   LIG    1        3.368   3.425   3.632  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  24
ATOM     24  C   LIG    1        3.467   0.880  -0.946  0.00  0.00    +0.109 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.384  -0.281  -0.624  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1        4.026  -1.597  -0.952  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.883  -2.659  -0.662  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.113  -2.417  -0.054  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.490  -1.113   0.258  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.634  -0.049  -0.030  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  10  24
TORSDOF 6