REMARK  Name = BDB014590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.334  -1.508  -0.326  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.683   0.403  -0.931  0.00  0.00    -0.274 OA
ATOM      3  C   LIG    1        1.970  -0.793  -0.907  0.00  0.00    +0.230 C 
ATOM      4  N   LIG    1        1.078  -1.789  -0.560  0.00  0.00    -0.312 N 
ATOM      5  H   LIG    1        1.350  -2.751  -0.708  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        3.376  -1.312  -1.290  0.00  0.00    +0.141 C 
ATOM      7  N   LIG    1        4.288  -0.189  -1.599  0.00  0.00    -0.303 NA
ATOM      8  H   LIG    1        3.705   0.622  -1.835  0.00  0.00    +0.123 HD
ATOM      9  C   LIG    1        5.089   0.093  -0.400  0.00  0.00    +0.057 C 
ATOM     10  C   LIG    1        4.833  -1.032   0.612  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1        4.075  -0.549   1.852  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1        4.803   0.605   2.542  0.00  0.00    +0.000 C 
ATOM     13  C   LIG    1        5.419   1.616   1.570  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1        4.842   1.497   0.164  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1        4.069  -2.087  -0.180  0.00  0.00    +0.033 C 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -1.212  -1.950  -1.512  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.844  -1.251  -2.707  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -1.492  -1.466  -3.397  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.729  -1.819  -1.216  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.181  -0.569  -0.579  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -4.612  -0.675  -0.225  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -5.211   0.602   0.323  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.601   1.844   0.085  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -5.191   3.017   0.575  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.395   2.959   1.277  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.014   1.731   1.498  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.281   1.905  -0.639  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -6.427   0.558   1.022  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.971   0.621  -1.421  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6