REMARK  Name = BDB004935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.553  -2.325  -1.956  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        0.615  -2.108  -0.440  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.792  -2.092   0.152  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1       -1.732  -1.111  -0.219  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -3.023  -1.090   0.327  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -3.370  -2.061   1.266  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -2.447  -3.038   1.649  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.167  -3.055   1.097  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1       -3.891  -0.065  -0.111  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -3.497   0.554  -0.808  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -5.222   0.105   0.231  0.00  0.00    +0.251 C 
ATOM     12  O   LIG    1       -5.904  -0.644   0.920  0.00  0.00    -0.270 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -5.880   1.298  -0.332  0.00  0.00    +0.073 A 
ATOM     14  C   LIG    1       -7.232   1.289  -0.604  0.00  0.00    +0.127 A 
ATOM     15  N   LIG    1       -7.899   2.346  -1.123  0.00  0.00    -0.243 NA
ATOM     16  C   LIG    1       -7.165   3.446  -1.350  0.00  0.00    +0.221 A 
ATOM     17  N   LIG    1       -5.850   3.578  -1.106  0.00  0.00    -0.243 NA
ATOM     18  C   LIG    1       -5.237   2.491  -0.586  0.00  0.00    +0.127 A 
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  19
ATOM     19  N   LIG    1        1.253  -0.825  -0.117  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1        0.982  -0.527   0.819  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.664  -0.778  -0.178  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1        3.324   0.438   0.101  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        4.732   0.420   0.046  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1        5.410   1.624   0.333  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1        4.708   2.803   0.653  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        3.324   2.812   0.690  0.00  0.00    +0.002 A 
ATOM     27  N   LIG    1        5.387  -0.719  -0.274  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1        4.659  -1.808  -0.541  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1        2.637   1.638   0.413  0.00  0.00    +0.013 A 
ATOM     30  N   LIG    1        3.331  -1.893  -0.508  0.00  0.00    -0.220 NA
BRANCH  24  31
ATOM     31  C   LIG    1        6.902   1.748   0.321  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1        7.460   2.813   0.567  0.00  0.00    -0.270 OA
ATOM     33  N   LIG    1        7.646   0.645   0.028  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1        7.200  -0.240  -0.197  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1        8.652   0.724   0.002  0.00  0.00    +0.145 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6