REMARK  Name = BDB047528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.330  -0.263   2.120  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -5.193  -0.464  -0.784  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1       -3.989  -0.415   0.134  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.830  -0.097  -0.590  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.577  -0.034   0.010  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.479  -0.290   1.377  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.633  -0.625   2.102  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.131   0.093  -2.041  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -3.888  -0.699   1.485  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -4.636   0.354  -1.985  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1       -6.518   0.135  -0.261  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -7.304  -2.141   0.711  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -7.245  -0.628   0.866  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -7.508   0.348  -1.389  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -8.174   1.354  -1.571  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.655  -0.714  -2.202  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -8.343  -0.429  -2.840  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        0.870   0.120   1.442  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.007   0.123   2.460  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.282   0.605   1.874  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.969   1.779   2.098  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        3.761   2.968   2.941  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        5.088   1.765   1.313  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.026   0.568   0.649  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        3.963  -0.155   0.949  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.114   0.269  -0.277  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        7.164   1.167  -0.502  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1        8.183   0.844  -1.394  0.00  0.00    +0.127 A 
ATOM     29  F   LIG    1        9.168   1.732  -1.595  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        8.198  -0.374  -2.076  0.00  0.00    -0.015 A 
ATOM     31  C   LIG    1        9.290  -0.684  -3.053  0.00  0.00    +0.047 C 
ATOM     32  C   LIG    1        7.145  -1.269  -1.867  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1        6.117  -0.951  -0.972  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9