REMARK  Name = BDB043706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.952   1.910   1.819  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1       -0.237   2.567   1.425  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.473   3.861   1.905  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        0.433   4.484   2.769  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.585   3.820   3.178  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.845   2.534   2.710  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.608   0.298   1.054  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        3.237   1.088   1.123  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.268   0.539   1.304  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        0.338  -0.233   1.091  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        5.223  -2.036  -0.128  0.00  0.00    +0.061 A 
ATOM     12  C   LIG    1        4.563  -0.882   0.320  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        3.192  -0.905   0.602  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        2.490  -2.101   0.438  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        3.143  -3.255  -0.010  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        4.508  -3.225  -0.294  0.00  0.00    +0.015 A 
BRANCH  11  18
ATOM     17  O   LIG    1        7.361  -0.947  -0.276  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1        6.675  -1.944  -0.410  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1        7.199  -3.103  -0.845  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        8.146  -2.896  -0.991  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  11  18
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  N   LIG    1       -1.155   1.893   0.582  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1       -0.902   0.926   0.378  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1       -2.317   2.378   0.016  0.00  0.00    +0.248 C 
ATOM     24  O   LIG    1       -2.713   3.537   0.048  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.123   1.373  -0.740  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -3.151   0.017  -0.384  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -3.921  -0.902  -1.118  0.00  0.00    -0.017 A 
ATOM     28  C   LIG    1       -4.684  -0.448  -2.220  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1       -5.451  -1.369  -2.950  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -5.468  -2.720  -2.600  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -4.719  -3.167  -1.515  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -4.663   0.914  -2.556  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -3.951  -2.264  -0.778  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1       -3.893   1.817  -1.820  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH   2  21
TORSDOF 6