REMARK  Name = BDB014589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.390  -0.356   1.387  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        2.223  -0.110  -0.722  0.00  0.00    -0.272 OA
ATOM      3  C   LIG    1        2.527  -0.856   0.207  0.00  0.00    +0.257 C 
ATOM      4  N   LIG    1        1.663  -1.063   1.265  0.00  0.00    -0.310 N 
ATOM      5  H   LIG    1        1.851  -1.802   1.930  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        3.831  -1.680   0.253  0.00  0.00    +0.296 C 
ATOM      7  O   LIG    1        4.615  -1.572  -0.935  0.00  0.00    -0.473 OA
ATOM      8  C   LIG    1        5.440  -0.478  -0.923  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1        5.713   0.268   0.227  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1        6.535   1.391   0.153  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        7.109   1.753  -1.067  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        6.857   0.995  -2.211  0.00  0.00    +0.004 A 
ATOM     13  O   LIG    1        5.199  -0.039   1.459  0.00  0.00    -0.484 OA
ATOM     14  C   LIG    1        6.022  -0.122  -2.139  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1        4.672  -1.369   1.487  0.00  0.00    +0.283 C 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.670  -0.833   0.367  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.456  -0.180  -0.892  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        0.514  -0.125  -1.041  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.096  -0.500   0.878  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.178  -1.304   0.265  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -4.483  -1.011   0.891  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -5.135   0.282   0.450  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.794   0.881  -0.776  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -5.436   2.060  -1.178  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.428   2.629  -0.380  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.783   2.027   0.825  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.694   0.295  -1.629  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -6.143   0.858   1.237  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.306  -1.126  -1.194  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6