REMARK  Name = BDB021504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.007  -0.261  -1.029  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -3.167  -0.145  -2.136  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -1.764  -0.149  -2.015  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1       -1.164  -0.013  -3.234  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.255   0.025  -3.318  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.885  -1.180  -2.641  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        1.192  -0.872  -1.252  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.256  -0.306  -0.393  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.594   0.158   0.698  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.194  -0.283  -0.744  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -2.057  -0.393   0.369  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.448  -0.387   0.233  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1       -5.350  -0.248  -1.305  0.00  0.00    -0.486 OA
BRANCH  13  16
ATOM     14  N   LIG    1       -7.930   1.071   0.431  0.00  0.00    -0.293 NA
ATOM     15  C   LIG    1       -6.452   1.201   0.492  0.00  0.00    +0.130 C 
ATOM     16  C   LIG    1       -6.290  -0.162  -0.212  0.00  0.00    +0.201 C 
ATOM     17  C   LIG    1       -7.764   0.034  -0.620  0.00  0.00    +0.130 C 
BRANCH  14  19
ATOM     18  C   LIG    1       -9.981   0.172   1.480  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -8.496   0.516   1.679  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -8.412   1.555   2.809  0.00  0.00    +0.024 C 
ENDBRANCH  14  19
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1        2.610  -0.796  -0.871  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.249   0.550  -1.251  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        3.486   0.580  -2.673  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        4.395   0.227  -2.771  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        4.590   0.825  -0.531  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.686  -0.009  -1.084  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        5.953  -1.205  -0.254  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        6.707  -0.945   1.033  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        7.497   0.208   1.190  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        8.207   0.409   2.380  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        8.153  -0.538   3.402  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.387  -1.690   3.244  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.532   1.256   0.107  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        6.670  -1.895   2.064  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        6.945   0.751  -1.220  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 8