REMARK  Name = BDB000614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.892   1.435   0.621  0.00  0.00    +0.210 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.288   0.307  -0.192  0.00  0.00    -0.255 N 
ATOM      3  C   LIG    1       -2.902  -0.863   0.280  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -3.092  -1.778  -0.757  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -3.681  -3.014  -0.575  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -4.090  -3.334   0.720  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.896  -2.425   1.780  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.547  -1.178  -1.976  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -2.534  -1.649  -3.089  0.00  0.00    -0.282 OA
ATOM     10  C   LIG    1       -3.296  -1.177   1.567  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -1.980   0.195  -1.536  0.00  0.00    +0.292 C 
ATOM     12  O   LIG    1       -1.350   0.972  -2.223  0.00  0.00    -0.266 OA
ENDBRANCH   1   2
BRANCH   1  15
ATOM     13  N   LIG    1        0.484   1.315   0.144  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        0.140   1.459  -0.805  0.00  0.00    +0.155 HD
ATOM     15  C   LIG    1       -0.470   1.243   1.147  0.00  0.00    +0.235 C 
ATOM     16  O   LIG    1       -0.272   1.051   2.343  0.00  0.00    -0.274 OA
BRANCH  13  20
ATOM     17  C   LIG    1        4.818   1.165  -2.166  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        4.032   1.124  -0.889  0.00  0.00    -0.049 A 
ATOM     19  C   LIG    1        2.634   1.245  -0.912  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        1.881   1.175   0.268  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        2.541   0.972   1.480  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        3.931   0.836   1.511  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.673   0.905   0.333  0.00  0.00    +0.003 A 
ENDBRANCH  13  20
ENDBRANCH   1  15
TORSDOF 3