REMARK  Name = BDB048141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.707   0.610   0.178  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1       -1.597   0.867   1.211  0.00  0.00    +0.156 A 
ATOM      3  N   LIG    1       -2.748   0.176   1.420  0.00  0.00    -0.256 NA
ATOM      4  C   LIG    1       -3.027  -0.834   0.559  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.199  -1.156  -0.510  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -1.030  -0.422  -0.698  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.456   1.267  -0.091  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.899   2.224   0.873  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.260   2.780   0.448  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.781   1.492   3.180  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.964   1.297   1.732  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.367   1.795   0.593  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        3.977   1.251  -0.515  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.892   0.437  -0.023  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.939   0.421   1.347  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.839  -0.422  -0.728  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        5.834  -0.452  -2.131  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        6.728  -1.264  -2.834  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.639  -2.058  -2.142  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.658  -2.041  -0.749  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.763  -1.228  -0.046  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.311  -1.581   0.799  0.00  0.00    +0.102 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.491  -1.114  -0.069  0.00  0.00    +0.171 C 
ATOM     24  O   LIG    1       -5.273  -1.579  -1.421  0.00  0.00    -0.362 OA
ATOM     25  C   LIG    1       -5.772  -0.599  -2.342  0.00  0.00    +0.161 C 
ATOM     26  C   LIG    1       -6.442   0.485  -1.527  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1       -5.710   0.395  -0.207  0.00  0.00    +0.049 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -6.770  -1.774   0.510  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -7.452  -2.606  -0.074  0.00  0.00    -0.248 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.112  -1.346   1.752  0.00  0.00    -0.479 OA
ATOM     31  H   LIG    1       -6.522  -0.676   2.148  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9