REMARK  Name = BDB048764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.040  -1.839   0.307  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.504  -1.286  -1.009  0.00  0.00    +0.100 C 
BRANCH   2   4
ATOM      3  C   LIG    1       -1.984   0.839  -0.936  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -1.757  -0.516  -0.816  0.00  0.00    +0.086 A 
ATOM      5  N   LIG    1       -2.927  -1.147  -0.460  0.00  0.00    -0.214 NA
ATOM      6  C   LIG    1       -3.815  -0.172  -0.382  0.00  0.00    +0.228 A 
ATOM      7  O   LIG    1       -3.302   1.069  -0.659  0.00  0.00    -0.440 OA
BRANCH   6   8
ATOM      8  C   LIG    1       -5.234  -0.241  -0.045  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -5.817  -1.482   0.251  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -7.173  -1.580   0.578  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -7.974  -0.434   0.627  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1       -9.436  -0.541   0.944  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -7.404   0.805   0.318  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -6.047   0.901  -0.009  0.00  0.00    +0.013 A 
ENDBRANCH   6   8
BRANCH   3  16
ATOM     15  C   LIG    1       -1.105   2.241  -2.783  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -1.153   2.014  -1.281  0.00  0.00    +0.073 C 
ENDBRANCH   3  16
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1        1.326  -2.436   0.117  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.434  -1.634   0.157  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.448  -0.255   0.381  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        3.669   0.406   0.372  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1        3.921   1.862   0.610  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1        5.340   2.010   0.042  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        6.051   0.650   0.241  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1        4.870  -0.282   0.167  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1        4.871  -1.647  -0.055  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        3.644  -2.317  -0.060  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        6.774   0.584   1.587  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.604  -0.659   1.742  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1        7.583  -1.425   2.692  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        8.479  -0.848   0.737  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        8.966  -1.658   1.000  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9