REMARK  Name = BDB007581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.160  -3.593   1.772  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.351  -2.713   0.939  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.600  -2.320   0.023  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.311  -1.815  -0.806  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.675  -2.039   0.845  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.804  -2.716   1.313  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -4.063  -2.114   1.238  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.208  -0.827   0.714  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -3.081  -0.147   0.254  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.816  -0.747   0.324  0.00  0.00    +0.016 A 
BRANCH   8  11
ATOM     11  O   LIG    1       -5.494  -0.366   0.695  0.00  0.00    -0.489 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.733   1.021   0.420  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1       -7.022   1.403   1.163  0.00  0.00    +0.059 C 
ATOM     14  C   LIG    1       -7.688   2.602   0.504  0.00  0.00    +0.084 C 
ATOM     15  N   LIG    1       -8.097   2.330  -0.874  0.00  0.00    -0.316 NA
ATOM     16  H   LIG    1       -8.076   3.195  -1.413  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -7.313   1.290  -1.539  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -5.855   1.264  -1.091  0.00  0.00    +0.059 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        1.891  -2.985  -0.044  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.835  -2.310  -1.052  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.151  -2.169  -2.312  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        1.915  -3.067  -2.606  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.322  -0.915  -0.598  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.085  -0.899   0.662  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.305   0.482   1.138  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.400   1.240   0.417  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.426   0.556  -0.263  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.447   1.281  -0.891  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.465   2.674  -0.827  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.461   3.353  -0.140  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.395  -0.948  -0.369  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        5.436   2.640   0.482  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        5.383  -1.590   0.593  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8