REMARK  Name = BDB044605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.171  -1.099   2.430  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1       -0.897  -1.525   2.877  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.797  -2.105   4.148  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -1.930  -2.295   4.945  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -3.185  -1.914   4.484  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.308  -1.321   3.229  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -3.341   0.520   1.033  0.00  0.00    -0.278 N 
ATOM      8  H   LIG    1       -3.786   0.821   1.896  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -2.327  -0.415   1.104  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -1.528  -0.661   0.204  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -4.653   2.329   0.132  0.00  0.00    +0.141 A 
ATOM     12  C   LIG    1       -3.746   1.270  -0.095  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -3.308   0.992  -1.392  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1       -3.729   1.793  -2.459  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1       -4.627   2.842  -2.233  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1       -5.090   3.109  -0.942  0.00  0.00    +0.048 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -5.946   3.565   1.713  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -5.039   2.502   1.441  0.00  0.00    -0.493 OA
ENDBRANCH  11  18
BRANCH  14  19
ATOM     19  C   LIG    1       -3.281   1.542  -3.850  0.00  0.00    +0.337 C 
ATOM     20  O   LIG    1       -3.989   1.764  -4.818  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -2.010   1.103  -3.946  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -1.506   1.079  -3.111  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   2  23
ATOM     23  N   LIG    1        0.228  -1.358   2.031  0.00  0.00    -0.281 N 
ATOM     24  H   LIG    1       -0.007  -1.046   1.088  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1        1.546  -1.690   2.272  0.00  0.00    +0.248 C 
ATOM     26  O   LIG    1        1.995  -2.205   3.291  0.00  0.00    -0.270 OA
BRANCH  25  27
ATOM     27  C   LIG    1        2.489  -1.401   1.151  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        2.300  -0.333   0.271  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        3.217  -0.105  -0.762  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.348  -0.925  -0.943  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1        4.528  -1.982  -0.035  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.615  -2.214   1.001  0.00  0.00    +0.013 A 
BRANCH  30  33
ATOM     33  C   LIG    1        5.332  -0.642  -2.093  0.00  0.00    -0.013 C 
ATOM     34  C   LIG    1        5.934   0.770  -1.924  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1        6.512  -1.637  -2.166  0.00  0.00    +0.015 C 
ATOM     36  C   LIG    1        4.588  -0.719  -3.444  0.00  0.00    +0.015 C 
ENDBRANCH  30  33
ENDBRANCH  25  27
ENDBRANCH   2  23
TORSDOF 8