REMARK  Name = BDB007661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.803   1.786   0.384  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.135   1.505  -0.761  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.304   1.670  -1.847  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.681   1.602  -2.783  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.496   0.975  -1.034  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -3.520   1.303  -0.144  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -4.801   0.812  -0.366  0.00  0.00    +0.119 A 
ATOM      8  N   LIG    1       -5.075   0.042  -1.438  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1       -4.069  -0.280  -2.278  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -2.768   0.153  -2.123  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -5.817   1.200   0.516  0.00  0.00    -0.329 N 
ATOM     12  H   LIG    1       -5.503   1.089   1.476  0.00  0.00    +0.147 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -7.128   0.599   0.314  0.00  0.00    +0.106 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -7.176  -0.769   0.931  0.00  0.00    +0.006 C 
ATOM     15  C   LIG    1       -7.282  -0.941   2.427  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1       -8.451  -1.290   1.547  0.00  0.00    +0.005 C 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        1.013   2.283  -1.714  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.148   1.255  -1.551  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.048   0.309  -2.628  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        1.244  -0.209  -2.448  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.117   0.544  -0.172  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.293  -0.256   0.225  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.457   0.581   0.553  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.686  -0.219   0.937  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        5.808  -1.573   0.577  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        6.967  -2.284   0.917  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.011  -1.647   1.588  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.903  -0.301   1.929  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.664  -2.272  -0.113  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.748   0.411   1.603  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.667  -1.290  -0.745  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 9