REMARK  Name = BDB047501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.896  -0.162  -0.964  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -2.506  -0.130  -0.372  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.026   1.181  -0.275  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.781   1.462   0.274  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        0.010   0.396   0.706  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -0.461  -0.922   0.579  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.021   2.156  -0.818  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -1.719  -1.194   0.034  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.894   1.224  -1.668  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.021  -0.284   0.096  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -4.524  -1.448   2.304  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -5.009  -1.619   0.870  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.377  -0.167  -0.583  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -6.612  -0.478  -1.740  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.341   0.307   0.242  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -7.035   0.488   1.151  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        1.254   0.495   1.265  0.00  0.00    -0.490 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.830   1.800   1.357  0.00  0.00    +0.252 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.237   1.693   1.950  0.00  0.00    +0.188 C 
BRANCH  19  20
ATOM     20  N   LIG    1        4.183   1.089   1.012  0.00  0.00    -0.226 N 
ATOM     21  C   LIG    1        4.505  -0.265   1.125  0.00  0.00    +0.275 A 
ATOM     22  O   LIG    1        4.110  -1.006   2.021  0.00  0.00    -0.266 OA
ATOM     23  C   LIG    1        5.398  -0.814   0.087  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        5.856   0.024  -0.917  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        6.704  -0.448  -1.921  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        7.093  -1.788  -1.908  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.636  -2.642  -0.900  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.423   1.415  -0.892  0.00  0.00    +0.141 A 
ATOM     29  C   LIG    1        5.789  -2.157   0.099  0.00  0.00    +0.014 A 
ATOM     30  N   LIG    1        4.638   1.918   0.006  0.00  0.00    -0.176 NA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 8