REMARK  Name = BDB048142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.684  -1.910   1.377  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.760  -1.569   0.610  0.00  0.00    +0.139 A 
ATOM      3  C   LIG    1        1.788  -0.677  -0.452  0.00  0.00    +0.156 A 
ATOM      4  N   LIG    1        2.899  -0.383  -1.172  0.00  0.00    -0.256 NA
ATOM      5  C   LIG    1        4.056  -0.993  -0.822  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        4.116  -1.914   0.221  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        2.956  -2.198   0.940  0.00  0.00    +0.049 A 
BRANCH   5   8
ATOM      8  C   LIG    1        5.286  -0.652  -1.631  0.00  0.00    +0.102 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.085   0.564  -1.123  0.00  0.00    +0.171 C 
ATOM     10  O   LIG    1        5.308   1.767  -1.262  0.00  0.00    -0.362 OA
ATOM     11  C   LIG    1        6.103   2.789  -1.871  0.00  0.00    +0.161 C 
ATOM     12  C   LIG    1        7.527   2.287  -1.895  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1        7.329   0.794  -1.993  0.00  0.00    +0.049 C 
BRANCH   9  14
ATOM     14  C   LIG    1        6.560   0.304   0.319  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1        7.087  -0.723   0.725  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1        6.403   1.350   1.156  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1        6.719   1.025   2.024  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       -0.556  -1.268   1.062  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.614  -1.783   2.035  0.00  0.00    +0.100 C 
BRANCH  19  24
ATOM     20  C   LIG    1       -4.704  -0.494   0.855  0.00  0.00    +0.228 A 
ATOM     21  O   LIG    1       -4.784   0.074   2.101  0.00  0.00    -0.440 OA
ATOM     22  C   LIG    1       -3.641  -0.328   2.733  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1       -3.441   0.135   4.117  0.00  0.00    +0.088 C 
ATOM     24  C   LIG    1       -2.922  -1.107   1.853  0.00  0.00    +0.086 A 
ATOM     25  N   LIG    1       -3.607  -1.205   0.663  0.00  0.00    -0.214 NA
BRANCH  20  29
ATOM     26  C   LIG    1       -9.119   1.665  -0.194  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -7.969   0.787  -0.591  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1       -6.910   0.557   0.302  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1       -5.811  -0.237  -0.062  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1       -5.785  -0.792  -1.349  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1       -6.824  -0.558  -2.251  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -7.909   0.233  -1.874  0.00  0.00    +0.003 A 
ENDBRANCH  20  29
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9