REMARK  Name = BDB007557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.030   1.643   0.808  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.655   0.558   0.377  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.389   0.059   0.595  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.228  -0.935   0.476  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.586  -0.312  -0.393  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        3.966  -0.161  -0.177  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        4.899  -0.929  -0.881  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        4.406  -1.901  -1.764  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        3.036  -2.051  -1.999  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        2.123  -1.249  -1.321  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1        6.279  -0.875  -0.658  0.00  0.00    -0.339 N 
ATOM     12  H   LIG    1        6.801  -1.224  -1.460  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        6.890   0.308  -0.053  0.00  0.00    +0.098 C 
ATOM     14  C   LIG    1        6.900   1.537  -0.963  0.00  0.00    +0.182 C 
ATOM     15  O   LIG    1        8.133   2.243  -0.731  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1        8.898   1.498   0.223  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1        8.373   0.083   0.172  0.00  0.00    +0.052 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1       -0.550   0.763   1.450  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.968   0.177   1.352  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.895  -1.229   1.643  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.631  -1.314   2.576  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.573   0.410  -0.057  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.011   0.144  -0.258  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.874   1.100   0.450  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -6.353   0.818   0.276  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.804  -0.452  -0.128  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -8.177  -0.697  -0.252  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -9.101   0.304   0.047  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.660   1.557   0.465  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.806  -1.524  -0.489  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -7.293   1.813   0.582  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.402  -1.232   0.062  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8