REMARK  Name = BDB039506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.259  -0.936  -0.110  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        1.159  -0.202  -0.915  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        2.465  -0.019  -0.490  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.584   0.721  -1.139  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.697   0.477  -0.232  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.300  -0.201   0.907  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        4.946  -0.445   1.906  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.890  -0.557   0.719  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        2.056  -1.285   1.542  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.737  -1.476   1.115  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -6.107  -2.072  -1.984  0.00  0.00    +0.173 C 
ATOM     12  N   LIG    1       -4.728  -1.810  -2.320  0.00  0.00    -0.265 N 
ATOM     13  C   LIG    1       -3.680  -1.533  -1.468  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1       -2.565  -1.501  -2.304  0.00  0.00    +0.109 A 
ATOM     15  N   LIG    1       -1.298  -1.294  -1.883  0.00  0.00    -0.244 NA
ATOM     16  C   LIG    1       -1.139  -1.137  -0.554  0.00  0.00    +0.072 A 
ATOM     17  C   LIG    1       -2.211  -1.140   0.343  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -3.055  -1.718  -3.602  0.00  0.00    +0.162 A 
ATOM     19  C   LIG    1       -3.545  -1.315  -0.083  0.00  0.00    -0.004 A 
ATOM     20  N   LIG    1       -4.376  -1.898  -3.623  0.00  0.00    -0.177 NA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.660  -1.260   0.938  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.135   0.062   1.335  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -5.678   0.912   0.283  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -5.790   2.285   0.941  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -4.995   2.180   2.237  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -4.206   0.891   2.092  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  16
BRANCH   5  27
ATOM     27  C   LIG    1        5.984   1.135  -0.422  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1        6.131   2.303   0.554  0.00  0.00    +0.240 C 
ATOM     29  O   LIG    1        5.365   3.268   0.543  0.00  0.00    -0.273 OA
ATOM     30  N   LIG    1        7.128   2.213   1.491  0.00  0.00    -0.255 N 
ATOM     31  H   LIG    1        7.195   2.986   2.137  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1        7.948   1.149   1.764  0.00  0.00    +0.219 C 
ATOM     33  O   LIG    1        8.756   1.208   2.689  0.00  0.00    -0.275 OA
ATOM     34  C   LIG    1        7.798  -0.084   0.910  0.00  0.00    +0.098 C 
ATOM     35  C   LIG    1        7.200   0.212  -0.453  0.00  0.00    +0.041 C 
ENDBRANCH   5  27
TORSDOF 4