REMARK  Name = BDB054358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.232  -2.451  -0.875  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        2.964  -0.918  -1.105  0.00  0.00    +0.228 A 
ATOM      3  O   LIG    1        2.600  -0.672  -2.405  0.00  0.00    -0.440 OA
ATOM      4  C   LIG    1        1.348  -1.208  -2.515  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.683  -1.098  -3.824  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1        1.010  -1.749  -1.293  0.00  0.00    +0.083 A 
ATOM      7  N   LIG    1        2.046  -1.559  -0.405  0.00  0.00    -0.214 NA
BRANCH   2  11
ATOM      8  C   LIG    1        6.825   0.437   0.177  0.00  0.00    -0.048 A 
ATOM      9  C   LIG    1        5.969  -0.236   1.057  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        4.713  -0.674   0.627  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        4.282  -0.448  -0.688  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        5.141   0.232  -1.563  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        6.398   0.672  -1.135  0.00  0.00    +0.004 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.097   2.334   1.212  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1        8.172   0.926   0.643  0.00  0.00    +0.032 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.069  -1.657   0.133  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.709  -0.406  -0.479  0.00  0.00    +0.001 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.481   0.444   0.539  0.00  0.00    +0.008 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.677  -0.254   1.215  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -4.700  -0.743   0.188  0.00  0.00    +0.169 C 
ATOM     21  O   LIG    1       -6.004  -0.672   0.753  0.00  0.00    -0.340 OA
ATOM     22  C   LIG    1       -6.390   0.680   0.978  0.00  0.00    +0.267 C 
ATOM     23  C   LIG    1       -7.573   0.676   1.943  0.00  0.00    +0.087 C 
ATOM     24  O   LIG    1       -5.334   1.486   1.555  0.00  0.00    -0.340 OA
ATOM     25  C   LIG    1       -4.367   0.674   2.220  0.00  0.00    +0.169 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -6.849   1.425  -0.317  0.00  0.00    +0.365 C 
ATOM     27  O   LIG    1       -7.548   0.959  -1.205  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -6.361   2.699  -0.366  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -5.777   2.830   0.418  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9