REMARK  Name = BDB014581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.639  -1.152  -0.855  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.898  -1.099   0.128  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1        0.965  -2.076   0.298  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1        0.960  -2.761  -0.451  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.022  -2.221   1.356  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.294  -1.377   1.135  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -2.019  -1.364   2.365  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -2.687  -0.662   2.290  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.152  -1.958  -0.017  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.403  -1.284  -0.393  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.269   0.156  -0.638  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.564   0.815  -1.065  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.805   0.194  -0.833  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -6.990   0.841  -1.210  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -6.946   2.107  -1.791  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.720   2.734  -2.006  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.855  -1.194  -0.244  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.535   2.093  -1.643  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -4.550  -1.581   0.467  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.052  -0.006   1.165  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.309  -0.248   1.996  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.543   0.324   1.377  0.00  0.00    +0.109 A 
ATOM     23  N   LIG    1        4.965   0.004   0.107  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        4.469  -0.599  -0.541  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        6.126   0.687  -0.147  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        6.362   1.404   1.019  0.00  0.00    +0.089 A 
ATOM     27  C   LIG    1        7.497   2.225   1.100  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        8.355   2.296  -0.004  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        8.090   1.564  -1.165  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.962   0.740  -1.264  0.00  0.00    +0.028 A 
ATOM     31  N   LIG    1        5.377   1.170   1.948  0.00  0.00    -0.232 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8