REMARK  Name = BDB000289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.585   0.099  -1.096  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        0.576  -0.010  -0.120  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.495  -0.905  -0.266  0.00  0.00    +0.079 A 
ATOM      4  N   LIG    1       -1.552  -0.995   0.685  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -2.567  -1.934   0.502  0.00  0.00    +0.263 C 
ATOM      6  C   LIG    1       -2.265  -3.030  -0.541  0.00  0.00    +0.181 C 
ATOM      7  O   LIG    1       -1.522  -2.609  -1.683  0.00  0.00    -0.475 OA
ATOM      8  C   LIG    1       -3.589  -3.583  -1.084  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -1.499  -4.168   0.153  0.00  0.00    +0.065 C 
ATOM     10  O   LIG    1       -3.594  -1.943   1.185  0.00  0.00    -0.271 OA
ATOM     11  C   LIG    1       -0.532  -1.705  -1.415  0.00  0.00    +0.143 A 
ATOM     12  C   LIG    1        0.451  -1.596  -2.400  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        1.506  -0.702  -2.241  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        3.897   0.716  -0.312  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        2.690   1.051  -0.925  0.00  0.00    +0.043 A 
ATOM     16  C   LIG    1        2.605   2.375  -1.368  0.00  0.00    +0.129 A 
ATOM     17  N   LIG    1        3.601   3.260  -1.223  0.00  0.00    -0.199 NA
ATOM     18  C   LIG    1        4.717   2.835  -0.638  0.00  0.00    +0.214 A 
ATOM     19  N   LIG    1        4.902   1.608  -0.154  0.00  0.00    -0.219 NA
BRANCH  16  20
ATOM     20  N   LIG    1        1.448   2.858  -2.006  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        0.641   2.742  -1.400  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        1.273   2.315  -2.847  0.00  0.00    +0.144 HD
ENDBRANCH  16  20
BRANCH  18  23
ATOM     23  N   LIG    1        5.739   3.746  -0.474  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1        6.305   3.488   0.321  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        5.359   4.682  -0.497  0.00  0.00    +0.145 HD
ENDBRANCH  18  23
BRANCH  14  27
ATOM     26  C   LIG    1        3.836  -0.735   1.735  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1        4.175  -0.655   0.254  0.00  0.00    +0.053 C 
ENDBRANCH  14  27
ENDBRANCH   1  15
BRANCH   4  28
ATOM     28  C   LIG    1       -1.688  -0.030   1.776  0.00  0.00    +0.116 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.210   1.341   1.342  0.00  0.00    +0.047 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.629   1.299   0.782  0.00  0.00    +0.161 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -4.046   2.612   0.401  0.00  0.00    -0.383 OA
ATOM     32  C   LIG    1       -4.653   3.332   1.465  0.00  0.00    +0.193 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 8