REMARK  Name = BDB051965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.562   0.300  -0.386  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.151  -0.380   0.587  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.393  -0.816   1.317  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.074   1.008  -1.259  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -4.616  -2.715   1.537  0.00  0.00    +0.113 C 
ATOM      6  C   LIG    1       -5.096  -1.523   0.763  0.00  0.00    +0.229 C 
ATOM      7  N   LIG    1       -4.082  -0.689   0.233  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1       -4.276   0.467  -0.530  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -3.017   0.981  -0.866  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -2.947   2.155  -1.655  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -4.122   2.772  -2.077  0.00  0.00    +0.118 A 
ATOM     12  C   LIG    1       -5.361   2.260  -1.736  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -2.021   0.137  -0.281  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1       -5.459   1.102  -0.961  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -2.710  -0.871   0.371  0.00  0.00    +0.108 A 
ATOM     16  O   LIG    1       -6.279  -1.261   0.589  0.00  0.00    -0.273 OA
BRANCH  11  17
ATOM     17  O   LIG    1       -4.088   3.903  -2.840  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1       -3.159   4.122  -3.021  0.00  0.00    +0.292 HD
ENDBRANCH  11  17
ENDBRANCH   1  13
BRANCH   2  19
ATOM     19  C   LIG    1        1.553  -0.464   0.734  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        2.475   0.066  -0.176  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        3.863  -0.057   0.027  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.314  -0.730   1.169  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        3.404  -1.270   2.085  0.00  0.00    +0.061 A 
ATOM     24  C   LIG    1        2.029  -1.137   1.864  0.00  0.00    +0.038 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.824   0.498  -0.927  0.00  0.00    +0.135 A 
ATOM     26  O   LIG    1        4.300   1.094  -2.041  0.00  0.00    -0.463 OA
ATOM     27  C   LIG    1        5.337   1.540  -2.793  0.00  0.00    +0.196 A 
ATOM     28  C   LIG    1        6.533   1.242  -2.186  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        6.204   0.570  -0.983  0.00  0.00    +0.050 A 
ENDBRANCH  21  25
BRANCH  23  30
ATOM     30  C   LIG    1        3.943  -1.974   3.273  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        5.120  -2.127   3.538  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        2.978  -2.456   4.076  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        3.476  -2.884   4.805  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  23  30
ENDBRANCH   2  19
TORSDOF 6