REMARK  Name = BDB004489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.489   2.070   1.405  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.563   1.282   1.383  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.827   0.852   0.295  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.233  -0.079   0.672  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.061  -0.175   2.173  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -0.780  -0.899   3.113  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -0.400  -0.798   4.456  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        0.680   0.017   4.843  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.400   0.744   3.893  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.007   0.627   2.573  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.065  -1.455   0.007  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.123  -2.197   0.169  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        1.281  -3.449  -0.430  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        0.256  -3.985  -1.204  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -0.931  -3.276  -1.371  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -1.091  -2.025  -0.771  0.00  0.00    +0.008 A 
ENDBRANCH   4  11
BRANCH   3  17
ATOM     17  C   LIG    1        1.040   1.317  -1.061  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.013   0.467  -1.845  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        3.380   0.469  -1.522  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        4.280  -0.329  -2.230  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.812  -1.135  -3.275  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        2.454  -1.146  -3.612  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        1.561  -0.344  -2.898  0.00  0.00    +0.007 A 
BRANCH  21  24
ATOM     24  N   LIG    1        4.754  -1.975  -4.023  0.00  0.00    +0.056 N 
ATOM     25  O   LIG    1        4.335  -2.549  -5.040  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        5.915  -2.058  -3.599  0.00  0.00    -0.126 OA
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   3  17
BRANCH   4  27
ATOM     27  O   LIG    1       -1.511   0.470   0.328  0.00  0.00    -0.347 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -1.831   1.762   0.842  0.00  0.00    +0.172 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.265   2.142   0.490  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -4.339   1.069   0.584  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -3.903   1.569  -0.768  0.00  0.00    +0.012 C 
BRANCH  29  32
ATOM     32  C   LIG    1       -3.587   3.567   0.898  0.00  0.00    +0.165 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -4.981   3.845   0.840  0.00  0.00    -0.394 OA
ATOM     34  H   LIG    1       -5.232   3.845  -0.098  0.00  0.00    +0.209 HD
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 9