REMARK  Name = BDB024593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.437   0.447   0.143  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.338   0.792   0.949  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.621   1.661   2.111  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.384   0.900   3.208  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.384   2.306   2.755  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.377   2.701   1.698  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.975   1.448   0.975  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.636   1.186   0.619  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.477   1.955   0.839  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.492   1.299   0.313  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.070   0.090  -0.217  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.300   0.015  -0.051  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.266  -0.934  -0.399  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.596  -0.661  -0.053  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.971   0.516   0.609  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.603   0.698   0.442  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.219  -0.424  -1.895  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        5.108  -0.134  -1.047  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.928  -0.916  -0.856  0.00  0.00    +0.090 C 
ATOM     20  C   LIG    1       -1.598  -1.026  -2.350  0.00  0.00    +0.031 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -1.939  -2.279  -0.101  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1       -2.870  -3.300  -0.787  0.00  0.00    +0.086 C 
ATOM     23  N   LIG    1       -2.939  -4.574  -0.068  0.00  0.00    -0.316 NA
ATOM     24  H   LIG    1       -2.011  -4.997  -0.040  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -3.414  -4.386   1.303  0.00  0.00    +0.081 C 
ATOM     26  C   LIG    1       -2.505  -3.443   2.080  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -2.369  -2.098   1.371  0.00  0.00    +0.008 C 
ENDBRANCH  19  21
ENDBRANCH  11  19
BRANCH  10  28
ATOM     28  C   LIG    1       -2.904   1.809   0.300  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.413   2.191  -1.075  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -4.675   1.755  -1.508  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.153   2.110  -2.770  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.383   2.913  -3.608  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.137   3.368  -3.183  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.657   3.016  -1.921  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 5