REMARK  Name = BDB014356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.934  -1.505   1.324  0.00  0.00    +0.169 A 
ATOM      2  C   LIG    1       -0.753  -1.498   0.605  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -0.567  -1.110  -0.815  0.00  0.00    +0.050 C 
ATOM      4  C   LIG    1        0.226  -1.973   1.540  0.00  0.00    +0.171 A 
ATOM      5  N   LIG    1       -0.360  -2.303   2.702  0.00  0.00    -0.073 NA
ATOM      6  O   LIG    1       -1.695  -2.012   2.562  0.00  0.00    -0.356 OA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -5.129   0.507   1.770  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -4.046  -0.474   2.224  0.00  0.00    +0.071 C 
ATOM      9  C   LIG    1       -3.355  -1.148   1.038  0.00  0.00    +0.190 C 
ATOM     10  O   LIG    1       -3.369  -0.246  -0.073  0.00  0.00    -0.365 OA
ATOM     11  C   LIG    1       -4.682  -0.122  -0.653  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -5.745   0.059   0.447  0.00  0.00    +0.063 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.650   0.998  -1.742  0.00  0.00    -0.011 C 
ATOM     14  C   LIG    1       -4.392   2.385  -1.127  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -5.976   1.034  -2.528  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -3.515   0.708  -2.749  0.00  0.00    +0.013 C 
ENDBRANCH  11  13
BRANCH   7  18
ATOM     17  C   LIG    1       -5.816   1.312   3.906  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1       -6.184   0.596   2.733  0.00  0.00    -0.380 OA
ENDBRANCH   7  18
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1        1.681  -2.134   1.378  0.00  0.00    +0.270 C 
ATOM     20  N   LIG    1        2.260  -1.148   0.605  0.00  0.00    -0.274 N 
ATOM     21  H   LIG    1        1.701  -0.317   0.428  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        2.303  -3.033   1.934  0.00  0.00    -0.268 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.567  -1.012   0.224  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        4.030   0.301  -0.315  0.00  0.00    +0.289 A 
ATOM     25  O   LIG    1        3.260   1.222  -0.552  0.00  0.00    -0.264 OA
ATOM     26  N   LIG    1        5.408   0.213  -0.525  0.00  0.00    -0.245 N 
ATOM     27  N   LIG    1        5.781  -1.153  -0.322  0.00  0.00    -0.287 N 
ATOM     28  C   LIG    1        7.071  -1.339   0.349  0.00  0.00    +0.170 C 
ATOM     29  C   LIG    1        4.637  -1.820   0.154  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        4.705  -3.288   0.430  0.00  0.00    +0.067 C 
BRANCH  26  31
ATOM     31  C   LIG    1        6.072   0.887  -1.661  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1        5.656   2.365  -1.905  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1        7.125   2.643  -2.273  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1        7.490   1.448  -1.371  0.00  0.00    +0.027 C 
ENDBRANCH  26  31
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6