REMARK  Name = BDB056581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.238   1.707  -0.168  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        0.160   2.933   0.237  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1        1.483   3.237   0.277  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        2.442   2.297  -0.111  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.003   1.047  -0.543  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1        3.119   0.316  -0.879  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1        3.100  -0.630  -1.233  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        4.251   1.057  -0.664  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        3.862   2.290  -0.189  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        0.649   0.718  -0.589  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        5.692   0.568  -0.921  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        6.840   1.291  -0.714  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1        7.869   0.468  -1.073  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        8.865   0.663  -1.054  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1        7.465  -0.743  -1.498  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1        6.133  -0.678  -1.405  0.00  0.00    +0.144 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.625   1.497  -0.195  0.00  0.00    -0.299 N 
ATOM     18  H   LIG    1       -2.045   2.360   0.146  0.00  0.00    +0.154 HD
BRANCH  17  22
ATOM     19  C   LIG    1       -3.937  -1.813   1.078  0.00  0.00    +0.162 A 
ATOM     20  C   LIG    1       -4.473  -0.852   0.200  0.00  0.00    +0.163 A 
ATOM     21  C   LIG    1       -3.682   0.231  -0.205  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1       -2.357   0.369   0.234  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1       -1.844  -0.584   1.116  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1       -2.623  -1.669   1.532  0.00  0.00    +0.051 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.268  -3.822   2.328  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.772  -2.843   1.432  0.00  0.00    -0.491 OA
ENDBRANCH  19  26
BRANCH  20  27
ATOM     27  O   LIG    1       -5.771  -1.058  -0.199  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.335  -0.130  -1.114  0.00  0.00    +0.277 C 
ENDBRANCH  20  27
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 5