REMARK  Name = BDB044384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.191   2.207   0.243  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.109   1.132  -0.343  0.00  0.00    +0.269 C 
ATOM      3  N   LIG    1        1.040   0.591  -0.883  0.00  0.00    -0.278 N 
ATOM      4  H   LIG    1        0.927  -0.314  -1.329  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.277   0.252  -0.548  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1       -2.616   0.471  -0.135  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -3.252   1.588   0.610  0.00  0.00    +0.040 C 
ATOM      8  C   LIG    1       -4.790   1.503   0.505  0.00  0.00    +0.014 C 
ATOM      9  C   LIG    1       -5.350   0.067   0.698  0.00  0.00    +0.002 C 
ATOM     10  C   LIG    1       -5.119  -0.466   2.115  0.00  0.00    +0.167 C 
ATOM     11  O   LIG    1       -6.150  -1.437   2.360  0.00  0.00    -0.379 OA
ATOM     12  C   LIG    1       -7.223  -1.208   1.437  0.00  0.00    +0.160 C 
ATOM     13  C   LIG    1       -4.756  -0.915  -0.362  0.00  0.00    +0.064 C 
ATOM     14  C   LIG    1       -6.875   0.041   0.652  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -3.307  -0.643  -0.546  0.00  0.00    +0.041 A 
ATOM     16  N   LIG    1       -2.408  -1.450  -1.168  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1       -2.565  -2.357  -1.596  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1       -1.163  -0.934  -1.192  0.00  0.00    -0.169 NA
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        2.285   1.175  -0.846  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1        3.413   0.612  -1.391  0.00  0.00    +0.132 A 
ATOM     21  N   LIG    1        4.437   1.484  -1.135  0.00  0.00    -0.265 N 
ATOM     22  N   LIG    1        4.039   2.595  -0.480  0.00  0.00    -0.177 NA
ATOM     23  C   LIG    1        2.729   2.397  -0.296  0.00  0.00    +0.157 A 
BRANCH  21  24
ATOM     24  C   LIG    1        5.829   1.337  -1.542  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.533   0.254  -0.763  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        6.740   0.391   0.618  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        7.395  -0.608   1.340  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.853  -1.752   0.689  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.657  -1.899  -0.682  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.001  -0.901  -1.407  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   3  19
TORSDOF 4