REMARK  Name = BDB007527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.418  -0.004  -0.181  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.821  -0.144   0.413  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.861  -0.567   1.331  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.567   0.172  -1.385  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.985  -0.645   0.939  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -2.821  -0.529   0.164  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -1.600  -0.110   0.719  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -1.528   0.218   2.075  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.663   0.096   2.869  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.868  -0.338   2.306  0.00  0.00    +0.023 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -5.196  -1.826  -0.845  0.00  0.00    +0.129 C 
ATOM     12  N   LIG    1       -5.208  -1.080   0.413  0.00  0.00    -0.330 N 
BRANCH  12  13
ATOM     13  C   LIG    1       -6.412  -0.279   0.743  0.00  0.00    +0.077 C 
ATOM     14  C   LIG    1       -7.535  -1.190   1.259  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1       -8.911  -0.617   0.940  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1       -8.879   0.803   1.017  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -8.105   1.400  -0.026  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1       -6.894   0.566  -0.438  0.00  0.00    +0.050 C 
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  C   LIG    1        2.033  -0.238  -0.398  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.435   1.116  -1.007  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.633   2.084   0.036  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        1.808   2.061   0.556  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.688   1.014  -1.907  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.853   0.296  -1.341  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        5.425   1.028  -0.189  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        6.756   0.480   0.291  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        7.539  -0.353  -0.526  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        8.773  -0.827  -0.062  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        9.243  -0.453   1.196  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.481   0.390   2.002  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.018  -0.781  -1.872  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        7.245   0.856   1.552  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        5.890   0.128  -2.375  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8