REMARK  Name = BDB049910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.843  -0.785  -0.202  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.783  -0.122  -0.948  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        1.736   0.104  -1.935  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.843   0.188  -0.131  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.483  -0.325   1.107  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        3.365  -0.187   2.187  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.590   0.459   1.978  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.929   0.968   0.719  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        4.051   0.855  -0.373  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        1.245  -0.915   1.051  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        4.331   1.374  -1.736  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        3.606   1.085  -2.683  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.397   2.211  -1.903  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.502   2.626  -2.820  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        5.880   2.655  -1.137  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  17
ATOM     16  C   LIG    1       -0.346  -2.753  -1.130  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1       -0.455  -1.265  -0.791  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.566  -1.099   0.162  0.00  0.00    -0.304 NA
ATOM     19  H   LIG    1       -1.206  -1.432   1.063  0.00  0.00    +0.123 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.010   0.295   0.326  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1       -2.815   0.418   1.634  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1       -4.154  -0.319   1.582  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -4.994   0.126   0.387  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -4.221   0.020  -0.924  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -2.886   0.762  -0.851  0.00  0.00    +0.019 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4