REMARK  Name = BDB049927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.081   0.486  -1.390  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -0.795  -0.040  -0.336  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1       -0.713   0.274   0.627  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -1.560  -1.081  -0.794  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -1.240  -1.162  -2.144  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -1.821  -2.165  -2.935  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -2.698  -3.077  -2.336  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.002  -2.982  -0.977  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.451  -1.968  -0.175  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -0.342  -0.184  -2.497  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -2.804  -1.900   1.258  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -3.122  -2.898   1.889  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -2.813  -0.662   1.839  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.195  -0.631   2.777  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -2.931   0.171   1.279  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  16
ATOM     16  C   LIG    1        0.854   1.668  -1.227  0.00  0.00    +0.088 C 
ATOM     17  C   LIG    1        1.568   1.955  -2.565  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1        0.071   2.937  -0.844  0.00  0.00    +0.039 C 
BRANCH  16  22
ATOM     19  N   LIG    1        2.818   0.796   1.748  0.00  0.00    -0.300 N 
ATOM     20  H   LIG    1        3.665   1.162   1.337  0.00  0.00    +0.150 HD
ATOM     21  C   LIG    1        1.669   1.164   1.097  0.00  0.00    +0.300 C 
ATOM     22  N   LIG    1        1.898   1.333  -0.243  0.00  0.00    -0.287 N 
ATOM     23  H   LIG    1        2.605   0.700  -0.592  0.00  0.00    +0.151 HD
ATOM     24  O   LIG    1        0.578   1.290   1.635  0.00  0.00    -0.253 OA
BRANCH  19  26
ATOM     25  C   LIG    1        2.213  -0.729   3.586  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1        2.827   0.601   3.184  0.00  0.00    +0.102 C 
ENDBRANCH  19  26
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 4