REMARK  Name = BDB032431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.000  -0.598  -0.580  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -1.176  -1.908  -0.320  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -0.197  -2.526   0.374  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1        0.944  -1.889   0.832  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        1.102  -0.525   0.569  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        0.102   0.130  -0.156  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.969   0.115  -1.254  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -2.972  -0.666  -1.902  0.00  0.00    +0.234 C 
BRANCH   8  14
ATOM      9  C   LIG    1       -8.114   1.883   0.407  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -7.755   0.425   0.523  0.00  0.00    +0.213 C 
ATOM     11  N   LIG    1       -6.417   0.130   0.548  0.00  0.00    -0.298 N 
ATOM     12  C   LIG    1       -5.275   1.026   0.350  0.00  0.00    +0.077 C 
ATOM     13  C   LIG    1       -4.851   0.929  -1.126  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1       -4.349  -0.537  -1.239  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -4.428  -1.025   0.236  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -4.156   0.252   1.041  0.00  0.00    +0.028 C 
ATOM     17  C   LIG    1       -5.920  -1.240   0.578  0.00  0.00    +0.112 C 
ATOM     18  O   LIG    1       -8.626  -0.441   0.600  0.00  0.00    -0.276 OA
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  19
ATOM     19  C   LIG    1        2.331   0.210   1.041  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.484  -0.272   0.294  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1        3.275  -0.342  -0.699  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.760   0.294   0.493  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        5.843  -0.078  -0.367  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        7.134   0.476  -0.167  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        8.170   0.104  -1.061  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1        7.998  -0.759  -2.076  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        6.778  -1.295  -2.232  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        7.331   1.360   0.916  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        6.295   1.675   1.788  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        5.697  -0.995  -1.425  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        5.029   1.135   1.584  0.00  0.00    +0.023 A 
BRANCH  25  32
ATOM     32  N   LIG    1        9.471   0.618  -0.928  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        9.841   0.356  -0.021  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        9.440   1.630  -0.993  0.00  0.00    +0.144 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7