REMARK  Name = BDB007594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.972  -0.605  -0.337  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.220  -1.103   0.143  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.207  -1.902   0.766  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.050   0.118  -1.324  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.616  -1.383   0.321  0.00  0.00    -0.033 A 
ATOM      6  C   LIG    1        3.422  -0.999  -0.309  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        2.205  -1.024   0.387  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        2.185  -1.409   1.733  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.370  -1.783   2.369  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.577  -1.770   1.668  0.00  0.00    +0.005 A 
BRANCH   5  11
ATOM     11  C   LIG    1        5.928  -1.335  -0.424  0.00  0.00    +0.116 C 
BRANCH  11  12
ATOM     12  N   LIG    1        6.659  -0.115  -0.084  0.00  0.00    -0.304 NA
ATOM     13  H   LIG    1        6.081   0.685  -0.352  0.00  0.00    +0.123 HD
BRANCH  12  14
ATOM     14  C   LIG    1        7.921  -0.045  -0.855  0.00  0.00    +0.177 C 
BRANCH  14  18
ATOM     15  C   LIG    1        9.090   2.756   1.432  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        8.518   1.560   0.879  0.00  0.00    -0.317 N 
ATOM     17  H   LIG    1        7.708   1.127   1.317  0.00  0.00    +0.148 HD
ATOM     18  C   LIG    1        8.738   1.181  -0.428  0.00  0.00    +0.227 C 
ATOM     19  O   LIG    1        9.536   1.734  -1.178  0.00  0.00    -0.274 OA
ENDBRANCH  14  18
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -1.468  -0.871  -0.569  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.663  -1.364   0.260  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.451  -2.749   0.599  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -2.407  -3.249  -0.236  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -4.007  -1.221  -0.489  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.356   0.146  -0.903  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.524   0.161  -1.807  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.835   0.533  -1.157  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.835   1.595  -0.237  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.033   2.046   0.319  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.233   1.426  -0.029  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -9.238   0.366  -0.938  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.499   2.200   0.098  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -8.043  -0.076  -1.508  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.479   1.060   0.255  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 10