REMARK  Name = BDB024775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.364  -1.451   0.590  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.674  -0.254   0.332  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.351   0.997   0.735  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.546   1.308  -0.182  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.448   2.240   0.773  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.068   1.884   1.282  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.493   0.869   0.337  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.150   0.916  -0.089  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.167   1.818   0.238  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.914   1.435  -0.410  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -0.656   0.308  -1.162  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.660  -0.046  -0.963  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.454  -1.086  -1.451  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.784  -1.132  -1.013  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.312  -0.190  -0.117  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.532  -1.492   0.972  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.293  -3.793   0.777  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.612  -2.581   0.452  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.595  -0.404  -2.011  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.441  -1.407  -1.216  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.416  -2.063  -2.099  0.00  0.00    -0.308 NA
ATOM     22  H   LIG    1       -2.918  -2.582  -2.823  0.00  0.00    +0.122 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.463  -2.874  -1.436  0.00  0.00    +0.105 C 
ATOM     24  C   LIG    1       -5.157  -2.168  -0.262  0.00  0.00    +0.180 C 
ATOM     25  O   LIG    1       -4.334  -2.896   0.696  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1       -3.928  -3.820  -0.352  0.00  0.00    +0.180 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  27
ATOM     27  C   LIG    1       -2.237   2.123  -0.311  0.00  0.00    +0.097 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.827   1.949   1.084  0.00  0.00    +0.151 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.135   2.568   1.188  0.00  0.00    -0.271 N 
ATOM     30  N   LIG    1       -5.186   2.019   0.545  0.00  0.00    -0.180 NA
ATOM     31  C   LIG    1       -6.202   2.826   0.861  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -5.805   3.889   1.692  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -4.458   3.696   1.886  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 8