REMARK  Name = BDB048135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.314  -0.013   0.396  0.00  0.00    +0.045 A 
ATOM      2  N   LIG    1        2.646   1.022  -0.159  0.00  0.00    -0.256 NA
ATOM      3  C   LIG    1        1.409   0.775  -0.659  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1        0.787  -0.464  -0.620  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1        1.489  -1.508  -0.025  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        2.765  -1.287   0.490  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        4.694   0.285   0.910  0.00  0.00    +0.101 C 
BRANCH   7   8
ATOM      8  C   LIG    1        5.829   0.248  -0.138  0.00  0.00    +0.167 C 
ATOM      9  C   LIG    1        6.033  -1.170  -0.688  0.00  0.00    +0.054 C 
BRANCH   8  11
ATOM     10  C   LIG    1        8.251   0.551  -0.082  0.00  0.00    +0.195 C 
ATOM     11  O   LIG    1        7.001   0.723   0.583  0.00  0.00    -0.365 OA
ENDBRANCH   8  11
BRANCH   8  12
ATOM     12  C   LIG    1        5.531   1.245  -1.280  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        5.092   0.952  -2.382  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.889   2.517  -0.951  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1        6.280   2.522  -0.050  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1       -0.447  -0.785  -1.103  0.00  0.00    -0.490 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.182   0.266  -1.742  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.523  -0.291  -2.220  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.485  -0.482  -1.101  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1       -3.611  -1.530  -0.215  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1       -2.905  -2.804   0.000  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1       -4.639  -1.238   0.636  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1       -5.093  -0.013   0.217  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1       -4.432   0.477  -0.817  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1       -6.213   0.565   0.955  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -6.724   1.815   0.572  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -7.795   2.393   1.259  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -8.369   1.727   2.339  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.875   0.485   2.733  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.803  -0.092   2.046  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 10