REMARK  Name = BDB012465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.536  -3.842   2.868  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.597  -2.999   1.976  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1       -0.404  -3.023   0.888  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -1.552  -2.233   1.036  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.537  -2.207   0.035  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -2.350  -3.000  -1.106  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -1.218  -3.816  -1.231  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.760  -1.321   0.187  0.00  0.00    +0.182 C 
ATOM      9  N   LIG    1       -3.495   0.092  -0.100  0.00  0.00    -0.225 N 
ATOM     10  N   LIG    1       -2.459   0.672   0.596  0.00  0.00    -0.168 NA
ATOM     11  C   LIG    1       -2.133   1.899   0.334  0.00  0.00    +0.092 A 
ATOM     12  C   LIG    1       -2.867   2.756  -0.616  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -3.898   2.193  -1.250  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1       -0.905   2.439   0.984  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -0.680   3.783   1.250  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        0.537   4.125   1.819  0.00  0.00    +0.112 A 
ATOM     17  N   LIG    1        1.521   3.241   2.115  0.00  0.00    -0.258 NA
ATOM     18  C   LIG    1        1.294   1.932   1.847  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        2.400   0.944   2.163  0.00  0.00    +0.180 C 
ATOM     20  N   LIG    1        2.578  -0.023   1.086  0.00  0.00    -0.306 N 
ATOM     21  C   LIG    1        1.993  -1.272   1.005  0.00  0.00    +0.204 A 
ATOM     22  N   LIG    1        2.067  -1.737  -0.220  0.00  0.00    -0.214 NA
ATOM     23  C   LIG    1        2.796  -0.822  -0.933  0.00  0.00    +0.091 A 
ATOM     24  C   LIG    1        3.190  -0.849  -2.278  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        3.927   0.228  -2.786  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.258   1.313  -1.971  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.869   1.359  -0.627  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        3.146   0.264  -0.138  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1        0.084   1.507   1.313  0.00  0.00    +0.035 A 
ATOM     30  C   LIG    1       -4.273   0.779  -1.017  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -5.224   0.310  -1.637  0.00  0.00    -0.266 OA
ATOM     32  C   LIG    1       -0.245  -3.837  -0.230  0.00  0.00    +0.013 A 
ATOM     33  N   LIG    1        1.423  -1.903   2.087  0.00  0.00    -0.252 N 
ATOM     34  H   LIG    1        1.867  -1.798   2.989  0.00  0.00    +0.158 HD
ENDROOT
TORSDOF 0