REMARK  Name = BDB049558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.425   1.613  -1.763  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -1.710   2.577  -2.862  0.00  0.00    +0.245 C 
ATOM      3  O   LIG    1       -2.804   2.906  -3.282  0.00  0.00    -0.270 OA
ATOM      4  N   LIG    1       -0.512   3.041  -3.341  0.00  0.00    -0.307 N 
ATOM      5  H   LIG    1       -0.472   3.709  -4.098  0.00  0.00    +0.149 HD
ATOM      6  C   LIG    1        0.603   2.474  -2.659  0.00  0.00    +0.141 C 
ATOM      7  C   LIG    1       -0.081   1.572  -1.681  0.00  0.00    -0.009 C 
ENDROOT
BRANCH   7   8
ATOM      8  C   LIG    1        0.763   0.784  -0.850  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.774  -0.636  -0.693  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        1.778  -0.942   0.235  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        2.061  -2.264   0.614  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        1.303  -3.292   0.047  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        0.300  -3.015  -0.875  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1        2.349   0.255   0.621  0.00  0.00    -0.323 N 
ATOM     15  C   LIG    1        0.032  -1.697  -1.257  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        1.748   1.301  -0.038  0.00  0.00    +0.097 A 
BRANCH  14  17
ATOM     17  C   LIG    1        3.409   0.412   1.608  0.00  0.00    +0.284 C 
BRANCH  17  18
ATOM     18  O   LIG    1        4.656   0.337   0.928  0.00  0.00    -0.357 OA
BRANCH  18  19
ATOM     19  C   LIG    1        5.778   0.239   1.806  0.00  0.00    +0.114 C 
ATOM     20  C   LIG    1        6.070   1.577   2.477  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1        6.968  -0.199   0.959  0.00  0.00    +0.037 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   7   8
BRANCH   1  26
ATOM     22  C   LIG    1       -4.595  -0.273  -0.920  0.00  0.00    +0.166 A 
ATOM     23  C   LIG    1       -4.382  -0.553   0.438  0.00  0.00    +0.204 A 
ATOM     24  C   LIG    1       -3.232  -0.095   1.097  0.00  0.00    +0.166 A 
ATOM     25  C   LIG    1       -2.287   0.640   0.377  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1       -2.447   0.883  -0.997  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1       -3.612   0.422  -1.631  0.00  0.00    +0.058 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -6.205  -0.092  -2.654  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -5.755  -0.749  -1.475  0.00  0.00    -0.491 OA
ENDBRANCH  22  29
BRANCH  23  30
ATOM     30  O   LIG    1       -5.348  -1.227   1.150  0.00  0.00    -0.488 OA
ATOM     31  C   LIG    1       -5.097  -2.630   1.091  0.00  0.00    +0.277 C 
ENDBRANCH  23  30
BRANCH  24  32
ATOM     32  O   LIG    1       -3.128  -0.396   2.432  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1       -1.831  -0.298   3.006  0.00  0.00    +0.277 C 
ENDBRANCH  24  32
ENDBRANCH   1  26
TORSDOF 8