REMARK  Name = BDB051298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.353  -4.505   1.444  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.975  -3.846   0.631  0.00  0.00    +0.253 C 
ATOM      3  C   LIG    1       -1.659  -2.475   0.156  0.00  0.00    +0.075 C 
ATOM      4  C   LIG    1       -2.616  -2.119  -0.725  0.00  0.00    +0.122 C 
ATOM      5  C   LIG    1       -3.512  -3.293  -0.863  0.00  0.00    +0.268 C 
ATOM      6  O   LIG    1       -4.481  -3.382  -1.593  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1       -3.083  -4.247  -0.018  0.00  0.00    -0.247 N 
ATOM      8  H   LIG    1       -3.512  -5.150   0.092  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -0.454  -1.809   0.511  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.072  -1.558   1.815  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        1.246  -0.810   1.648  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        2.005  -0.363   2.743  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.563  -0.685   4.028  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        0.402  -1.425   4.221  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1        1.426  -0.642   0.291  0.00  0.00    -0.344 N 
ATOM     16  C   LIG    1       -0.351  -1.863   3.127  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        0.425  -1.268  -0.404  0.00  0.00    +0.095 A 
BRANCH  15  18
ATOM     18  C   LIG    1        2.484   0.133  -0.336  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.090   1.598  -0.463  0.00  0.00    +0.144 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.143   2.384  -1.069  0.00  0.00    -0.335 N 
ATOM     21  C   LIG    1        3.248   2.697  -2.393  0.00  0.00    +0.199 A 
ATOM     22  N   LIG    1        4.326   3.409  -2.629  0.00  0.00    -0.244 NA
ATOM     23  C   LIG    1        4.926   3.577  -1.408  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1        4.204   2.950  -0.420  0.00  0.00    +0.107 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3   9
BRANCH   4  25
ATOM     25  N   LIG    1       -2.763  -0.932  -1.454  0.00  0.00    -0.309 N 
ATOM     26  C   LIG    1       -2.449   0.377  -1.065  0.00  0.00    +0.072 A 
ATOM     27  C   LIG    1       -2.590   1.200  -2.184  0.00  0.00    +0.089 A 
ATOM     28  N   LIG    1       -2.310   2.526  -2.186  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1       -1.943   3.036  -0.995  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -1.837   2.317   0.183  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -3.102   0.421  -3.235  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1       -2.101   0.950   0.169  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -3.268  -0.853  -2.747  0.00  0.00    +0.094 A 
ENDBRANCH   4  25
TORSDOF 5