REMARK  Name = BDB049909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.574  -1.356   0.724  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.210  -0.611  -0.240  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.889  -0.489  -1.194  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.301  -0.004   0.326  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.280  -0.432   1.646  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        3.274   0.015   2.527  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.254   0.894   2.049  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.252   1.313   0.713  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.275   0.861  -0.191  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        1.218  -1.272   1.874  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.216   1.260  -1.619  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        2.220   1.046  -2.301  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.325   1.840  -2.167  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.236   1.789  -1.736  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        4.296   1.990  -3.168  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  17
ATOM     16  C   LIG    1       -1.463  -2.488   1.674  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1       -0.670  -2.145   0.412  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.483  -1.509  -0.643  0.00  0.00    -0.304 NA
ATOM     19  H   LIG    1       -2.181  -2.181  -0.961  0.00  0.00    +0.123 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.146  -0.265  -0.257  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1       -2.259   0.669  -1.464  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1       -3.308   1.692  -1.040  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -4.187   0.985  -0.007  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -3.616  -0.423   0.137  0.00  0.00    +0.019 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4