REMARK  Name = BDB048911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.156   0.146  -0.134  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        3.628   0.815  -0.456  0.00  0.00    +0.228 A 
ATOM      3  O   LIG    1        3.386   0.699  -1.801  0.00  0.00    -0.440 OA
ATOM      4  C   LIG    1        2.049   0.429  -1.885  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        1.488   0.250  -3.234  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1        1.544   0.397  -0.603  0.00  0.00    +0.083 A 
ATOM      7  N   LIG    1        2.557   0.641   0.297  0.00  0.00    -0.214 NA
BRANCH   2  12
ATOM      8  C   LIG    1        9.048   1.948   1.227  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        7.641   1.682   0.782  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1        7.342   1.537  -0.577  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        6.035   1.257  -0.991  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.002   1.107  -0.055  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.312   1.240   1.306  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        6.618   1.519   1.722  0.00  0.00    +0.004 A 
ENDBRANCH   2  12
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1       -0.091  -1.337   0.151  0.00  0.00    +0.006 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.467  -1.618   0.765  0.00  0.00    +0.001 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.626  -1.306  -0.188  0.00  0.00    +0.008 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.994  -1.792   0.333  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.041  -1.650  -0.780  0.00  0.00    +0.169 C 
ATOM     20  O   LIG    1       -6.281  -1.222  -0.229  0.00  0.00    -0.340 OA
ATOM     21  C   LIG    1       -6.171   0.077   0.343  0.00  0.00    +0.267 C 
ATOM     22  C   LIG    1       -7.415   0.313   1.196  0.00  0.00    +0.087 C 
ATOM     23  O   LIG    1       -5.011   0.227   1.197  0.00  0.00    -0.340 OA
ATOM     24  C   LIG    1       -4.479  -1.042   1.576  0.00  0.00    +0.169 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -6.095   1.236  -0.702  0.00  0.00    +0.365 C 
ATOM     26  O   LIG    1       -6.734   1.308  -1.742  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -5.197   2.193  -0.330  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1       -4.763   1.894   0.504  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8