REMARK  Name = BDB048110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.537   2.491  -3.036  0.00  0.00    -0.476 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.595   2.147  -2.220  0.00  0.00    +0.215 A 
ATOM      3  N   LIG    1       -1.659   2.617  -0.960  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -2.684   2.177  -0.198  0.00  0.00    +0.118 A 
ATOM      5  C   LIG    1       -3.670   1.298  -0.642  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -3.587   0.860  -1.966  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -2.533   1.288  -2.768  0.00  0.00    +0.067 A 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.769   0.827   0.278  0.00  0.00    +0.083 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.308  -0.140   1.389  0.00  0.00    +0.169 C 
ATOM     10  O   LIG    1       -3.530   0.606   2.347  0.00  0.00    -0.362 OA
ATOM     11  C   LIG    1       -3.814   0.129   3.669  0.00  0.00    +0.161 C 
ATOM     12  C   LIG    1       -4.841  -0.974   3.541  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -5.488  -0.665   2.211  0.00  0.00    +0.049 C 
BRANCH   9  14
ATOM     14  C   LIG    1       -3.508  -1.334   0.800  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1       -2.366  -1.633   1.124  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.192  -2.082  -0.102  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1       -5.104  -1.798  -0.289  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.529   3.184  -2.379  0.00  0.00    +0.231 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.384   2.273  -1.495  0.00  0.00    +0.047 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.849   1.013  -2.226  0.00  0.00    +0.062 C 
BRANCH  20  23
ATOM     21  C   LIG    1        0.773  -1.133   0.130  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1        2.112  -0.776  -0.372  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        2.595   0.094  -1.327  0.00  0.00    +0.083 A 
ATOM     24  N   LIG    1        3.970   0.022  -1.362  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1        4.271  -0.876  -0.442  0.00  0.00    +0.228 A 
ATOM     26  O   LIG    1        3.182  -1.403   0.202  0.00  0.00    -0.440 OA
BRANCH  25  27
ATOM     27  C   LIG    1        5.583  -1.368  -0.029  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        6.738  -0.868  -0.650  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        8.007  -1.320  -0.277  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.136  -2.280   0.724  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.001  -2.788   1.352  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        5.732  -2.335   0.977  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10