REMARK  Name = BDB047511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.046   0.430   0.692  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.660   0.044   0.237  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -3.293  -1.189   0.795  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.040  -1.749   0.577  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.132  -1.056  -0.224  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.494   0.183  -0.775  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -4.385  -1.739   1.660  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.753   0.747  -0.538  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.591  -0.947   1.145  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -6.012   1.181  -0.247  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -5.458  -0.082  -2.467  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.513   0.472  -1.523  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -5.520   2.583  -0.544  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -5.225   3.053  -1.630  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.453   3.353   0.561  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -5.134   4.219   0.228  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.133  -1.468  -0.544  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.598  -2.678   0.053  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.036  -2.946  -0.395  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.029  -2.003   0.192  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.421  -1.831   1.504  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        3.050  -2.437   2.793  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.371  -0.850   1.534  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.520  -0.478   0.223  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        3.751  -1.149  -0.613  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.489   0.578  -0.059  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.249   1.180   0.953  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        7.171   2.189   0.653  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.344   2.623  -0.665  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1        8.356   3.681  -0.992  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1        6.600   2.017  -1.682  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        5.679   1.009  -1.380  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9