REMARK  Name = BDB046335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.682   0.393   2.253  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.270   0.115   1.124  0.00  0.00    +0.233 C 
ATOM      3  N   LIG    1       -0.928   0.319   0.779  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.439   0.343  -0.597  0.00  0.00    +0.161 C 
ATOM      5  C   LIG    1        1.063   0.164  -0.688  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        1.571   0.014  -1.960  0.00  0.00    -0.324 N 
ATOM      7  H   LIG    1        0.957   0.041  -2.766  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        2.896  -0.172  -2.268  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1        3.833  -0.241  -1.123  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        3.333  -0.101   0.182  0.00  0.00    -0.008 A 
ATOM     11  C   LIG    1        4.244  -0.203   1.245  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.606  -0.422   1.007  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.083  -0.547  -0.296  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.196  -0.459  -1.365  0.00  0.00    +0.014 A 
ATOM     15  O   LIG    1        3.272  -0.282  -3.429  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        1.883   0.137   0.383  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        1.336   0.348   1.772  0.00  0.00    +0.056 C 
ATOM     18  C   LIG    1       -0.065   0.959   1.767  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   2  19
ATOM     19  C   LIG    1       -3.211  -0.455   0.024  0.00  0.00    +0.141 C 
ATOM     20  N   LIG    1       -4.460  -1.016   0.603  0.00  0.00    -0.306 NA
ATOM     21  H   LIG    1       -4.797  -1.754  -0.013  0.00  0.00    +0.123 HD
ATOM     22  C   LIG    1       -5.427   0.084   0.576  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1       -5.172   0.737  -0.766  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1       -3.664   0.640  -0.943  0.00  0.00    +0.029 C 
ENDBRANCH   2  19
TORSDOF 1