REMARK  Name = BDB051501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.406  -1.393  -0.690  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1       -0.240  -2.413   0.467  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1        0.234  -2.218   1.580  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -0.716  -3.607   0.007  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -0.689  -4.831   0.774  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1       -1.079  -3.457  -1.277  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1       -0.949  -2.278  -1.789  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.315   1.798   0.051  0.00  0.00    +0.123 A 
ATOM      9  C   LIG    1       -2.679   1.176   1.137  0.00  0.00    -0.008 A 
ATOM     10  C   LIG    1       -2.974   1.609   2.548  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -1.746   0.148   0.907  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -1.439  -0.286  -0.393  0.00  0.00    -0.006 A 
ATOM     13  C   LIG    1       -2.081   0.362  -1.463  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -3.009   1.386  -1.246  0.00  0.00    +0.046 A 
BRANCH   8  16
ATOM     15  C   LIG    1       -4.839   3.468  -0.708  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -4.207   2.789   0.369  0.00  0.00    -0.495 OA
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  C   LIG    1        0.956  -0.784  -1.078  0.00  0.00    -0.006 A 
ATOM     18  C   LIG    1        1.717  -0.065  -0.133  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        2.961   0.510  -0.452  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        3.437   0.358  -1.762  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.699  -0.340  -2.718  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        1.469  -0.904  -2.379  0.00  0.00    +0.007 A 
BRANCH  19  23
ATOM     23  C   LIG    1        3.737   1.246   0.557  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.006   0.711   1.819  0.00  0.00    +0.119 A 
ATOM     25  N   LIG    1        4.715   1.334   2.793  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        5.184   2.564   2.502  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        4.980   3.196   1.289  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        4.249   2.527   0.309  0.00  0.00    +0.011 A 
ENDBRANCH  19  23
ENDBRANCH   1  17
BRANCH   6  29
ATOM     29  N   LIG    1       -1.562  -4.490  -2.007  0.00  0.00    -0.331 N 
ATOM     30  H   LIG    1       -1.998  -4.176  -2.869  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1       -2.127  -5.166  -1.511  0.00  0.00    +0.145 HD
ENDBRANCH   6  29
TORSDOF 5