REMARK  Name = BDB046099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.923  -0.587   0.557  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -1.882   0.056  -0.213  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -1.851   1.468  -0.697  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -3.242   2.094  -0.714  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -4.072   1.605  -1.797  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -4.539   2.293  -2.377  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -4.616   0.357  -1.961  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -4.172  -0.816  -1.165  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.996  -1.960  -1.173  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -4.636  -3.120  -0.490  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.436  -3.184   0.216  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -2.619  -2.049   0.214  0.00  0.00    +0.048 A 
ATOM     13  O   LIG    1       -5.505   0.223  -2.802  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.953  -0.867  -0.451  0.00  0.00    +0.016 A 
ATOM     15  N   LIG    1       -1.396  -1.852   0.808  0.00  0.00    -0.354 N 
ATOM     16  H   LIG    1       -0.897  -2.553   1.338  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        2.591   0.789   0.641  0.00  0.00    -0.033 A 
ATOM     18  C   LIG    1        1.336   0.365   0.175  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        0.372  -0.138   1.060  0.00  0.00    -0.001 A 
ATOM     20  C   LIG    1        0.670  -0.213   2.425  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.912   0.208   2.900  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.866   0.707   2.014  0.00  0.00    +0.005 A 
BRANCH  17  23
ATOM     23  C   LIG    1        3.624   1.340  -0.319  0.00  0.00    +0.119 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.735  -0.747  -0.870  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1        4.895   0.595  -0.303  0.00  0.00    -0.304 NA
ATOM     26  C   LIG    1        5.915   1.330  -1.052  0.00  0.00    +0.104 C 
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  19
TORSDOF 3