REMARK  Name = BDB048753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.356  -2.191   0.118  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.638  -0.864  -0.882  0.00  0.00    +0.141 A 
ATOM      3  N   LIG    1        2.589  -0.969   0.013  0.00  0.00    -0.330 N 
ATOM      4  C   LIG    1        2.492  -0.295   1.287  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1        1.629  -1.787  -0.547  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        2.123  -2.101  -1.799  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        1.520  -2.942  -2.858  0.00  0.00    +0.067 C 
ATOM      8  N   LIG    1        3.340  -1.505  -1.998  0.00  0.00    -0.232 NA
BRANCH   2  12
ATOM      9  C   LIG    1        7.274   1.325  -0.289  0.00  0.00    -0.048 A 
ATOM     10  C   LIG    1        6.504   1.510  -1.443  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.321   0.789  -1.627  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        4.882  -0.123  -0.660  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        5.668  -0.328   0.480  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        6.852   0.392   0.666  0.00  0.00    +0.004 A 
BRANCH   9  16
ATOM     15  C   LIG    1        9.751   1.341  -0.691  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1        8.562   2.085  -0.100  0.00  0.00    +0.032 C 
ENDBRANCH   9  16
ENDBRANCH   2  12
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -0.807  -1.275  -0.266  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.955  -1.684   0.480  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -3.114  -0.983   0.275  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -4.199  -1.426   1.038  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -5.421  -0.787   0.902  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -6.693  -1.075   1.633  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -7.715  -0.344   0.748  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -6.976   0.843   0.085  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1       -5.574   0.295   0.033  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -4.509   0.747  -0.729  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -3.273   0.099  -0.607  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.039   2.131   0.910  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -8.397   2.771   0.835  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -9.347   2.424   0.154  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -8.489   3.851   1.636  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -9.402   4.178   1.496  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9