REMARK  Name = BDB043094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.788   1.551  -0.302  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -1.456   0.827  -0.584  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -1.419  -0.318  -1.040  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.297   1.543  -0.334  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -0.184   3.000  -0.255  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        1.289   3.213   0.109  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        2.001   2.088  -0.643  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        3.382   1.768  -0.070  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        3.745   0.303  -0.296  0.00  0.00    +0.108 C 
ATOM     10  N   LIG    1        2.775  -0.595   0.339  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        1.404  -0.102   0.513  0.00  0.00    +0.130 C 
ATOM     12  C   LIG    1        3.124  -1.769   1.007  0.00  0.00    +0.247 C 
ATOM     13  O   LIG    1        2.389  -2.329   1.815  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -1.123   3.734   0.712  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1       -1.797   2.832   1.735  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        1.006   0.916  -0.568  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -2.944   1.992   1.160  0.00  0.00    +0.032 C 
ENDROOT
BRANCH  12  18
ATOM     18  C   LIG    1        4.445  -2.382   0.734  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        5.265  -2.725   1.814  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        6.505  -3.320   1.580  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.917  -3.585   0.273  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.087  -3.266  -0.804  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.846  -2.671  -0.575  0.00  0.00    +0.013 A 
ENDBRANCH  12  18
BRANCH   1  25
ATOM     24  C   LIG    1       -4.437  -0.343  -0.198  0.00  0.00    +0.230 C 
ATOM     25  N   LIG    1       -3.910   0.766  -0.837  0.00  0.00    -0.303 N 
ATOM     26  H   LIG    1       -3.920   0.704  -1.847  0.00  0.00    +0.149 HD
ATOM     27  O   LIG    1       -4.227  -0.632   0.977  0.00  0.00    -0.274 OA
BRANCH  24  28
ATOM     28  C   LIG    1       -5.378  -1.183  -1.095  0.00  0.00    +0.137 C 
ATOM     29  C   LIG    1       -6.764  -0.544  -1.092  0.00  0.00    +0.034 C 
BRANCH  28  31
ATOM     30  C   LIG    1       -4.270  -3.332  -0.882  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       -5.484  -2.570  -0.594  0.00  0.00    -0.309 NA
ATOM     32  H   LIG    1       -5.577  -2.511   0.426  0.00  0.00    +0.122 HD
ENDBRANCH  28  31
ENDBRANCH  24  28
ENDBRANCH   1  25
TORSDOF 4