REMARK  Name = BDB024461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.777  -1.117  -2.530  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.028  -1.801  -3.551  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1       -0.905  -1.719  -3.279  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        0.175   0.284  -2.329  0.00  0.00    +0.137 C 
BRANCH   4   7
ATOM      5  O   LIG    1       -0.924  -0.638   0.139  0.00  0.00    -0.269 OA
ATOM      6  C   LIG    1       -1.661  -0.160  -0.716  0.00  0.00    +0.263 C 
ATOM      7  N   LIG    1       -1.235   0.225  -1.971  0.00  0.00    -0.308 N 
ATOM      8  H   LIG    1       -1.917   0.719  -2.543  0.00  0.00    +0.149 HD
BRANCH   6   9
ATOM      9  C   LIG    1       -3.122   0.046  -0.466  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1       -3.835   0.567  -1.491  0.00  0.00    -0.231 NA
ATOM     11  C   LIG    1       -5.130   0.744  -1.224  0.00  0.00    +0.224 A 
ATOM     12  N   LIG    1       -5.746   0.447  -0.071  0.00  0.00    -0.221 NA
ATOM     13  C   LIG    1       -5.007  -0.082   0.916  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1       -3.654  -0.292   0.759  0.00  0.00    +0.076 A 
BRANCH  13  15
ATOM     15  N   LIG    1       -5.580  -0.382   2.175  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -5.233  -1.287   2.483  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -6.934  -0.186   2.604  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1       -7.556   1.201   2.350  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -8.876   0.463   2.030  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -8.032  -0.792   1.708  0.00  0.00    +0.022 C 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   6   9
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  21
ATOM     21  C   LIG    1        2.256  -1.061  -2.967  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.159  -0.327  -2.063  0.00  0.00    -0.294 NA
ATOM     23  C   LIG    1        3.200  -0.948  -0.716  0.00  0.00    +0.138 C 
ATOM     24  C   LIG    1        4.293  -0.340   0.093  0.00  0.00    +0.034 A 
ATOM     25  N   LIG    1        4.416  -0.423   1.451  0.00  0.00    -0.357 N 
ATOM     26  H   LIG    1        3.769  -0.885   2.075  0.00  0.00    +0.166 HD
ATOM     27  C   LIG    1        5.563   0.230   1.855  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1        6.175   0.749   0.710  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        7.373   1.476   0.854  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1        7.918   1.655   2.130  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.288   1.125   3.254  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        6.096   0.402   3.138  0.00  0.00    +0.026 A 
ATOM     33  C   LIG    1        5.361   0.382  -0.393  0.00  0.00    -0.017 A 
ATOM     34  C   LIG    1        5.481   0.668  -1.847  0.00  0.00    +0.053 C 
ATOM     35  C   LIG    1        4.522  -0.245  -2.655  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 8