REMARK  Name = BDB021583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.937  -0.286  -1.355  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        3.547  -0.753  -0.099  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        2.271  -0.471   0.425  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1        2.141  -1.026   1.664  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        1.016  -0.699   2.457  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.276  -1.088   1.766  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.778   0.044   1.007  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -0.048   0.667   0.004  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.579   1.557  -0.666  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.357   0.269  -0.340  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        1.774   0.710  -1.623  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        3.043   0.431  -2.134  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1        9.868   0.408   1.227  0.00  0.00    +0.105 C 
ATOM     14  N   LIG    1        8.710  -0.104   0.506  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1        8.896  -0.040  -0.950  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1        7.698  -0.653  -1.702  0.00  0.00    +0.123 C 
ATOM     17  N   LIG    1        6.396  -0.204  -1.203  0.00  0.00    -0.295 N 
ATOM     18  C   LIG    1        5.268  -0.621  -1.895  0.00  0.00    +0.247 C 
ATOM     19  O   LIG    1        5.311  -1.274  -2.935  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        6.438   0.848  -0.185  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1        7.458   0.546   0.937  0.00  0.00    +0.103 C 
ENDBRANCH   1  18
BRANCH   7  22
ATOM     22  C   LIG    1       -2.197   0.407   1.181  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.106  -0.224   0.100  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -3.112   0.605  -1.071  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -2.221   1.006  -1.150  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -4.545  -0.393   0.647  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -5.393  -1.240  -0.216  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -6.069  -0.461  -1.276  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -7.293   0.316  -0.821  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -7.977  -0.029   0.360  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -9.126   0.680   0.734  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -9.610   1.710  -0.072  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.946   2.044  -1.250  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -7.441  -1.118   1.253  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -7.795   1.351  -1.625  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -6.403  -1.995   0.542  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 6