REMARK  Name = BDB047584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.205  -0.444   0.499  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.422   0.172   0.190  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.396  -0.525  -0.539  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.139  -1.850  -0.925  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.933  -2.471  -0.587  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.034  -1.772   0.131  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.849   0.074   0.215  0.00  0.00    +0.101 C 
ATOM      8  C   LIG    1        4.407   1.352   0.938  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1        3.052   1.162   1.611  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1        2.079   0.484   0.759  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        0.798   0.309   1.282  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        0.456   0.745   2.379  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        2.453   0.298  -0.641  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        3.770  -0.466  -0.740  0.00  0.00    +0.033 C 
BRANCH   7  15
ATOM     15  C   LIG    1        6.140   0.309  -0.544  0.00  0.00    +0.310 C 
ATOM     16  O   LIG    1        6.549   1.401  -0.912  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1        6.763  -0.882  -0.770  0.00  0.00    -0.465 OA
BRANCH  17  19
ATOM     18  C   LIG    1        9.152  -0.558  -0.537  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        8.002  -0.813  -1.493  0.00  0.00    +0.229 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   7  15
ENDBRANCH   1  11
BRANCH   3  20
ATOM     20  C   LIG    1       -3.715   0.131  -0.878  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.873  -0.192   0.061  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1       -6.167   0.510  -0.152  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -7.212   0.208   0.720  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -8.458   0.831   0.582  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -8.660   1.760  -0.437  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -7.621   2.063  -1.316  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.994  -0.780   1.788  0.00  0.00    +0.272 A 
ATOM     28  O   LIG    1       -7.884  -1.073   2.578  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -5.745  -1.347   1.835  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1       -5.567  -2.025   2.570  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1       -6.376   1.441  -1.178  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1       -4.706  -1.071   1.005  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6