REMARK  Name = BDB061232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.566   1.701   0.378  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -2.877   0.587  -0.065  0.00  0.00    -0.230 N 
ATOM      3  C   LIG    1       -2.989  -0.325   0.952  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -2.366  -1.621   0.843  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.651  -1.901  -0.333  0.00  0.00    +0.058 A 
ATOM      6  N   LIG    1       -1.577  -0.893  -1.358  0.00  0.00    -0.284 N 
ATOM      7  C   LIG    1       -1.020  -3.147  -0.446  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -1.110  -4.087   0.587  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.827  -3.797   1.744  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.456  -2.563   1.874  0.00  0.00    +0.013 A 
ATOM     11  N   LIG    1       -3.686   0.186   1.942  0.00  0.00    -0.129 NA
ATOM     12  C   LIG    1       -2.179   0.374  -1.255  0.00  0.00    +0.337 A 
ATOM     13  O   LIG    1       -2.113   1.268  -2.087  0.00  0.00    -0.246 OA
ATOM     14  N   LIG    1       -4.048   1.457   1.581  0.00  0.00    -0.134 NA
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -2.550   3.908  -0.176  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -3.737   2.977  -0.372  0.00  0.00    +0.073 C 
ENDBRANCH   1  16
BRANCH   6  17
ATOM     17  C   LIG    1       -0.859  -1.172  -2.611  0.00  0.00    +0.222 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.674  -1.046  -2.546  0.00  0.00    +0.237 C 
ATOM     19  N   LIG    1        1.143  -0.468  -1.380  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1        0.432  -0.247  -0.703  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        1.352  -1.427  -3.496  0.00  0.00    -0.274 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.478  -0.182  -0.998  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        2.733   0.349   0.310  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        4.076   0.643   0.670  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        4.378   1.168   1.938  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        3.377   1.409   2.875  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        2.059   1.127   2.556  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.115   0.412  -0.239  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        4.854  -0.106  -1.501  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        1.742   0.606   1.297  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1        3.547  -0.400  -1.877  0.00  0.00    +0.024 A 
ENDBRANCH  19  22
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 4