REMARK  Name = BDB007654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.947   0.343  -0.774  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -1.101  -0.849  -1.015  0.00  0.00    +0.263 C 
ATOM      3  N   LIG    1       -0.233  -1.582  -1.793  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -0.483  -2.558  -1.938  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.259  -1.624  -0.468  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -2.330  -2.926  -0.833  0.00  0.00    -0.231 NA
ATOM      7  C   LIG    1       -3.371  -3.585  -0.318  0.00  0.00    +0.224 A 
ATOM      8  N   LIG    1       -4.314  -3.069   0.484  0.00  0.00    -0.221 NA
ATOM      9  C   LIG    1       -4.206  -1.770   0.805  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1       -3.167  -0.993   0.352  0.00  0.00    +0.076 A 
BRANCH   9  11
ATOM     11  N   LIG    1       -5.188  -1.289   1.663  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1       -5.827  -2.071   1.809  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -5.864  -0.040   1.293  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.498   1.051   2.304  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -6.294   2.325   2.033  0.00  0.00    +0.082 C 
ATOM     16  N   LIG    1       -7.737   2.080   2.038  0.00  0.00    -0.316 NA
ATOM     17  H   LIG    1       -8.020   1.769   2.969  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -8.111   1.066   1.054  0.00  0.00    +0.082 C 
ATOM     19  C   LIG    1       -7.383  -0.253   1.292  0.00  0.00    +0.037 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1        0.902  -1.016  -2.506  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.016  -0.495  -1.571  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        1.675   0.822  -1.110  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        0.731   0.797  -0.840  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.366  -0.422  -2.328  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.572  -0.383  -1.468  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        4.560   0.787  -0.563  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        5.870   1.018   0.169  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        7.066   0.428  -0.271  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        8.262   0.677   0.416  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        8.276   1.532   1.518  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.096   2.137   1.945  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.044  -0.519  -1.441  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        5.900   1.884   1.274  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        5.786  -0.350  -2.301  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 8