REMARK  Name = BDB044777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.485   1.677   4.081  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.248   1.464   2.886  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1        0.311   2.395   2.173  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.458   2.040   1.055  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.457   2.881   0.521  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -1.647   4.131   1.128  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -0.885   4.513   2.234  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.243   2.543  -0.743  0.00  0.00    +0.182 C 
ATOM      9  N   LIG    1       -2.825   1.198  -0.890  0.00  0.00    -0.225 N 
ATOM     10  N   LIG    1       -2.146   0.159  -0.320  0.00  0.00    -0.168 NA
ATOM     11  C   LIG    1       -2.418  -1.051  -0.674  0.00  0.00    +0.095 A 
ATOM     12  C   LIG    1       -3.456  -1.444  -1.625  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -4.119  -0.426  -2.183  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1       -1.572  -2.072  -0.105  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -1.128  -3.328  -0.578  0.00  0.00    +0.144 A 
ATOM     16  N   LIG    1       -0.164  -3.858   0.190  0.00  0.00    -0.179 NA
ATOM     17  N   LIG    1        0.020  -2.926   1.140  0.00  0.00    -0.269 N 
ATOM     18  C   LIG    1        1.167  -2.961   2.021  0.00  0.00    +0.165 C 
ATOM     19  C   LIG    1        2.457  -2.459   1.368  0.00  0.00    +0.148 C 
ATOM     20  N   LIG    1        2.360  -1.235   0.590  0.00  0.00    -0.310 N 
ATOM     21  C   LIG    1        2.043   0.032   1.048  0.00  0.00    +0.203 A 
ATOM     22  N   LIG    1        2.059   0.900   0.064  0.00  0.00    -0.214 NA
ATOM     23  C   LIG    1        2.334   0.188  -1.071  0.00  0.00    +0.091 A 
ATOM     24  C   LIG    1        2.430   0.634  -2.397  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        2.702  -0.297  -3.404  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        2.872  -1.648  -3.096  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        2.781  -2.110  -1.777  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        2.517  -1.160  -0.781  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1       -0.882  -1.914   1.081  0.00  0.00    +0.118 A 
ATOM     30  C   LIG    1       -3.778   0.993  -1.885  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -4.331   1.881  -2.528  0.00  0.00    -0.266 OA
ATOM     32  C   LIG    1        0.080   3.648   2.756  0.00  0.00    +0.013 A 
ATOM     33  N   LIG    1        1.757   0.295   2.362  0.00  0.00    -0.252 N 
ATOM     34  H   LIG    1        2.176  -0.292   3.067  0.00  0.00    +0.158 HD
ENDROOT
TORSDOF 0