REMARK  Name = BDB051955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.327   1.486   0.508  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.016   1.083   0.580  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1       -0.230   0.175   0.198  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        1.747   2.608   0.768  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1        5.813   0.793  -2.261  0.00  0.00    +0.113 C 
ATOM      6  C   LIG    1        5.214  -0.517  -1.841  0.00  0.00    +0.229 C 
ATOM      7  N   LIG    1        4.026  -0.428  -1.078  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1        3.289  -1.499  -0.557  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1        2.193  -0.975   0.146  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        1.333  -1.876   0.819  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        1.552  -3.254   0.743  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.622  -3.752   0.017  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        2.234   0.448   0.012  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1        3.506  -2.890  -0.634  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        3.381   0.736  -0.705  0.00  0.00    +0.108 A 
ATOM     16  O   LIG    1        5.697  -1.607  -2.126  0.00  0.00    -0.273 OA
ENDBRANCH   1  13
BRANCH   2  17
ATOM     17  C   LIG    1       -1.119   1.817   0.984  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1       -2.353   1.130   0.863  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -3.529   1.775   1.258  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -3.491   3.094   1.719  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1       -2.271   3.775   1.816  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1       -1.081   3.131   1.453  0.00  0.00    +0.040 A 
BRANCH  18  23
ATOM     23  N   LIG    1       -2.311  -0.241   0.497  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1       -2.223  -0.776   1.364  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.447  -0.742  -0.282  0.00  0.00    +0.104 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.105  -2.089  -0.947  0.00  0.00    -0.000 C 
ATOM     27  C   LIG    1       -2.821  -3.188   0.078  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -1.942  -1.960  -1.934  0.00  0.00    +0.009 C 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  18  23
BRANCH  21  29
ATOM     29  C   LIG    1       -2.196   5.172   2.309  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -1.185   5.836   2.442  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -3.403   5.681   2.618  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -3.195   6.590   2.919  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH   2  17
TORSDOF 7