REMARK  Name = BDB048139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.098  -2.010  -1.001  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1       -0.971  -2.567  -0.078  0.00  0.00    +0.156 A 
ATOM      3  N   LIG    1       -2.323  -2.513  -0.175  0.00  0.00    -0.256 NA
ATOM      4  C   LIG    1       -2.847  -1.878  -1.251  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.048  -1.296  -2.230  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -0.663  -1.366  -2.097  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        1.264  -2.003  -0.963  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.930  -2.612   0.149  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.015  -1.672   1.353  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        1.565   1.349  -0.080  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        2.727   0.686   0.534  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        2.953  -0.540   1.123  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        4.269  -0.625   1.520  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.793   0.533   1.161  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        3.903   1.381   0.552  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.161   1.018   1.323  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        7.117   0.198   1.944  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        8.434   0.634   2.114  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.812   1.897   1.664  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.877   2.723   1.045  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.560   2.287   0.876  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       -4.351  -1.816  -1.339  0.00  0.00    +0.102 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.979  -0.459  -0.940  0.00  0.00    +0.171 C 
ATOM     24  O   LIG    1       -4.586   0.519  -1.920  0.00  0.00    -0.362 OA
ATOM     25  C   LIG    1       -5.090   1.832  -1.676  0.00  0.00    +0.161 C 
ATOM     26  C   LIG    1       -4.611   2.366  -0.336  0.00  0.00    +0.028 C 
ATOM     27  C   LIG    1       -5.000   1.414   0.787  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -4.527  -0.002   0.466  0.00  0.00    +0.047 C 
BRANCH  23  29
ATOM     29  C   LIG    1       -6.501  -0.733  -0.942  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -7.208  -0.965   0.027  0.00  0.00    -0.248 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.049  -0.726  -2.177  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -7.997  -0.921  -2.022  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9