REMARK  Name = BDB002889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.026   1.364  -1.088  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -3.033   0.753  -0.366  0.00  0.00    +0.056 A 
ATOM      3  N   LIG    1       -2.724  -0.555  -0.285  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1       -3.245  -1.252  -0.809  0.00  0.00    +0.152 HD
ATOM      5  C   LIG    1       -1.700  -1.025   0.535  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1       -1.464  -2.517   0.517  0.00  0.00    +0.051 C 
ATOM      7  C   LIG    1       -0.054  -2.884   0.960  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        0.290  -2.207   2.273  0.00  0.00    +0.080 C 
ATOM      9  C   LIG    1        0.114  -0.708   2.176  0.00  0.00    +0.162 C 
ATOM     10  O   LIG    1        0.805   0.046   2.860  0.00  0.00    -0.292 OA
ATOM     11  C   LIG    1       -0.948  -0.173   1.276  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -1.149   1.344   1.248  0.00  0.00    +0.087 C 
ATOM     13  C   LIG    1       -2.305   1.725   0.358  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -2.904   2.938   0.082  0.00  0.00    +0.089 A 
ATOM     15  N   LIG    1       -3.928   2.712  -0.807  0.00  0.00    -0.363 N 
ATOM     16  H   LIG    1       -4.526   3.430  -1.194  0.00  0.00    +0.165 HD
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        0.046   2.115   0.696  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1        0.800   1.628  -0.382  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1        1.969   2.283  -0.776  0.00  0.00    +0.132 A 
ATOM     20  C   LIG    1        2.343   3.490  -0.194  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        1.572   4.015   0.840  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        0.444   3.325   1.294  0.00  0.00    +0.005 A 
BRANCH  19  23
ATOM     23  O   LIG    1        2.796   1.717  -1.716  0.00  0.00    -0.425 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.369   0.540  -1.444  0.00  0.00    +0.302 A 
ATOM     25  N   LIG    1        3.491  -0.004  -0.187  0.00  0.00    -0.308 N 
ATOM     26  H   LIG    1        3.164   0.422   0.669  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        4.094  -1.227  -0.310  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1        4.347  -1.344  -1.673  0.00  0.00    +0.093 A 
ATOM     29  C   LIG    1        4.978  -2.501  -2.152  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        5.329  -3.503  -1.238  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        5.059  -3.356   0.126  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        4.432  -2.208   0.624  0.00  0.00    +0.028 A 
ATOM     33  N   LIG    1        3.905  -0.237  -2.358  0.00  0.00    -0.195 NA
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  12  17
BRANCH   1  35
ATOM     34  C   LIG    1       -6.303   0.374  -1.263  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -5.060   0.826  -2.014  0.00  0.00    +0.052 C 
ENDBRANCH   1  35
TORSDOF 4