REMARK  Name = BDB021431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.307  -3.179  -1.013  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.244  -2.340  -0.106  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.546  -2.610   1.009  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.749  -1.738   2.156  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.787  -0.269   1.814  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -0.545   0.216   1.768  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1       -1.173   0.010   0.575  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -2.054   1.064   0.265  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -2.809   1.082  -0.914  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1       -2.663   0.018  -1.800  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.806  -1.042  -1.486  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -1.048  -1.083  -0.290  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        1.134  -3.949   1.108  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.356  -4.228   0.204  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1        2.747  -5.607   0.378  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1        2.932  -5.751   1.321  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1        3.598  -3.352   0.506  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.484  -1.914   0.211  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        4.629  -1.184   0.788  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        4.626   0.291   0.451  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        3.953   0.765  -0.688  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        3.984   2.132  -0.996  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        4.705   3.018  -0.196  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.392   2.548   0.921  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.146  -0.181  -1.540  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        5.355   1.191   1.242  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.438  -1.660  -1.242  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  C   LIG    1       -3.719   2.246  -1.241  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.625   2.604  -0.141  0.00  0.00    -0.294 NA
ATOM     30  C   LIG    1       -5.221   3.937  -0.377  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1       -6.521   4.125   0.417  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1       -7.553   3.221   0.003  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -7.044   1.978  -0.500  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -5.680   1.593   0.095  0.00  0.00    +0.113 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7