REMARK  Name = BDB046379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.655  -2.216   0.145  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1        0.236  -2.546  -0.848  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        0.081  -2.142  -1.765  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.480  -2.521   1.322  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.125  -0.734   0.434  0.00  0.00    -0.046 A 
ATOM      6  C   LIG    1       -2.925  -1.411   0.692  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -1.889  -1.464  -0.261  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1       -2.055  -0.807  -1.494  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1       -3.266  -0.155  -1.762  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.288  -0.119  -0.808  0.00  0.00    +0.007 A 
BRANCH   8  11
ATOM     11  O   LIG    1       -1.031  -0.862  -2.408  0.00  0.00    -0.494 OA
ATOM     12  C   LIG    1       -0.947   0.221  -3.331  0.00  0.00    +0.277 C 
ENDBRANCH   8  11
BRANCH   5  13
ATOM     13  C   LIG    1       -5.217  -0.680   1.479  0.00  0.00    +0.049 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.289   0.614   2.311  0.00  0.00    +0.102 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.673  -0.019   4.187  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.006   0.972   3.081  0.00  0.00    +0.011 C 
ENDBRANCH  14  16
BRANCH  14  17
ATOM     17  C   LIG    1       -5.731   1.782   1.454  0.00  0.00    +0.308 C 
ATOM     18  O   LIG    1       -5.075   2.755   1.123  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -7.018   1.674   1.062  0.00  0.00    -0.480 OA
ATOM     20  H   LIG    1       -7.179   2.501   0.560  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  21
ATOM     21  C   LIG    1        1.538  -3.099  -0.569  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.597  -2.030  -0.651  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.350  -1.851  -1.817  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.314  -0.839  -1.890  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        4.545   0.025  -0.807  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        3.776  -0.157   0.353  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        2.813  -1.167   0.431  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.558   1.090  -0.888  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1        5.230   2.425  -0.596  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        6.192   3.437  -0.671  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.499   3.131  -1.038  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.846   1.814  -1.332  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        6.883   0.804  -1.258  0.00  0.00    +0.008 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 10