REMARK  Name = BDB056503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.222  -1.522  -0.253  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1       -0.405  -0.842  -0.979  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -1.162  -2.525  -0.092  0.00  0.00    +0.219 C 
ATOM      4  O   LIG    1       -1.105  -3.475   0.683  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        3.377  -0.786   1.867  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.971   0.018   0.807  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        1.775  -0.250   0.123  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        0.961  -1.328   0.485  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.357  -2.128   1.552  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        2.550  -1.856   2.235  0.00  0.00    +0.025 A 
BRANCH   5  13
ATOM     11  C   LIG    1        5.793   1.210   1.462  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        5.633   0.195   2.554  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1        4.546  -0.620   2.630  0.00  0.00    -0.286 N 
ATOM     14  H   LIG    1        4.650  -1.253   3.417  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1        6.507   0.074   3.418  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1       -2.347  -2.367  -1.024  0.00  0.00    +0.118 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.375  -1.372  -0.487  0.00  0.00    +0.136 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.930   0.028  -0.521  0.00  0.00    -0.293 N 
ATOM     19  C   LIG    1       -2.916   0.772  -1.741  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1       -2.447   2.092  -1.740  0.00  0.00    +0.063 A 
ATOM     21  C   LIG    1       -2.397   2.853  -2.916  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -2.828   2.300  -4.118  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.306   0.993  -4.140  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.993   2.691  -0.476  0.00  0.00    +0.262 A 
ATOM     25  O   LIG    1       -1.540   3.828  -0.423  0.00  0.00    -0.267 OA
ATOM     26  N   LIG    1       -2.100   1.898   0.631  0.00  0.00    -0.274 N 
ATOM     27  H   LIG    1       -1.804   2.298   1.510  0.00  0.00    +0.173 HD
ATOM     28  C   LIG    1       -3.352   0.235  -2.962  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1       -2.542   0.608   0.684  0.00  0.00    +0.330 A 
ATOM     30  O   LIG    1       -2.565   0.027   1.765  0.00  0.00    -0.246 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 5