REMARK  Name = BDB017559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.747  -0.975  -0.807  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -1.070   0.337  -1.145  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.322   0.863  -0.808  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -3.311   0.096  -0.154  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -4.641   0.749   0.050  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -5.746  -0.024   0.406  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -5.695  -0.956   0.002  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -7.099   0.519   0.360  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -7.086   1.955   0.863  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.089   2.791   0.057  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.786   2.072  -0.174  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.682   2.884  -0.741  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -3.791   4.092  -0.932  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.945  -1.204   0.273  0.00  0.00    -0.039 A 
ATOM     15  C   LIG    1       -3.808  -2.091   1.133  0.00  0.00    +0.044 C 
ATOM     16  N   LIG    1       -2.550   2.213  -1.095  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -1.819   2.780  -1.501  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.683  -1.727  -0.089  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1        0.599  -1.564  -1.171  0.00  0.00    +0.119 C 
BRANCH  19  23
ATOM     20  N   LIG    1        4.268  -1.085   0.683  0.00  0.00    -0.313 N 
ATOM     21  C   LIG    1        3.105  -0.806   1.560  0.00  0.00    +0.122 C 
ATOM     22  C   LIG    1        1.790  -0.670   0.762  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1        1.424  -1.895   0.001  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        2.638  -2.649  -0.389  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1        3.908  -1.787  -0.572  0.00  0.00    +0.122 C 
BRANCH  20  28
ATOM     26  C   LIG    1        7.149  -1.290   0.386  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        6.397  -0.004   0.202  0.00  0.00    -0.011 A 
ATOM     28  C   LIG    1        5.005   0.079   0.369  0.00  0.00    +0.124 A 
ATOM     29  N   LIG    1        4.340   1.249   0.211  0.00  0.00    -0.240 NA
ATOM     30  C   LIG    1        5.049   2.347  -0.126  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1        6.414   2.351  -0.329  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        7.096   1.154  -0.166  0.00  0.00    +0.008 A 
ENDBRANCH  20  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 3