REMARK  Name = BDB024673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.814  -2.909   0.406  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.082  -1.855   0.985  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.336  -1.583   2.416  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.717  -0.942   2.632  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.287  -0.690   3.099  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.901  -0.983   2.566  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.920  -0.708   1.089  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.862  -0.041   0.432  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.295   0.425   0.985  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.986   0.970   0.004  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -0.282   0.921  -1.206  0.00  0.00    -0.322 N 
ATOM     12  C   LIG    1        0.896   0.216  -0.938  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.994  -0.223  -1.692  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.038  -0.900  -1.043  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.015  -1.162   0.328  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.752  -3.472   0.965  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -0.734   1.501  -2.498  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1        0.316   1.471  -3.638  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1       -1.944   0.707  -3.044  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1       -1.067   3.005  -2.339  0.00  0.00    +0.034 C 
ENDBRANCH  11  17
BRANCH   1  22
ATOM     21  C   LIG    1        5.015  -4.453  -1.363  0.00  0.00    +0.282 C 
ATOM     22  O   LIG    1        4.349  -3.317  -0.811  0.00  0.00    -0.453 OA
ENDBRANCH   1  22
BRANCH  10  23
ATOM     23  C   LIG    1       -2.352   1.544   0.268  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.180   0.612   1.180  0.00  0.00    +0.135 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.641   0.623   0.728  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -5.183  -0.512   0.103  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.495  -0.506  -0.370  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.283   0.632  -0.228  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.761   1.766   0.390  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.447   1.764   0.861  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
BRANCH  24  31
ATOM     31  C   LIG    1       -2.984   0.976   2.655  0.00  0.00    +0.313 C 
ATOM     32  O   LIG    1       -3.850   1.413   3.403  0.00  0.00    -0.250 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -1.726   0.758   3.112  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -1.086   0.481   2.408  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  24  31
ENDBRANCH  23  24
ENDBRANCH  10  23
TORSDOF 7