REMARK  Name = BDB034142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.726   0.229   0.030  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1       -0.095   1.357   0.045  0.00  0.00    +0.263 A 
ATOM      3  O   LIG    1        0.328   2.511   0.021  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -1.556   1.135   0.118  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.058  -0.170   0.146  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.457  -0.371   0.229  0.00  0.00    -0.013 A 
ATOM      7  C   LIG    1       -4.309   0.742   0.281  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -3.786   2.030   0.248  0.00  0.00    +0.118 A 
ATOM      9  C   LIG    1       -3.966  -1.679   0.256  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -3.109  -2.778   0.198  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.733  -2.581   0.112  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -1.211  -1.281   0.088  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -2.417   2.240   0.167  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        0.252  -1.083  -0.009  0.00  0.00    +0.262 A 
ATOM     15  O   LIG    1        0.979  -2.066  -0.132  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  22
ATOM     16  O   LIG    1        6.088  -0.545  -0.981  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        4.923  -0.274  -0.703  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1        3.955  -0.234  -1.675  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        4.254  -0.474  -2.610  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        2.619   0.071  -1.531  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1        1.879   0.104  -2.513  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1        2.171   0.451  -0.115  0.00  0.00    +0.180 C 
ATOM     23  C   LIG    1        3.035  -0.235   0.945  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        4.497   0.107   0.697  0.00  0.00    +0.099 C 
ENDBRANCH   1  22
BRANCH   8  25
ATOM     25  O   LIG    1       -4.664   3.071   0.298  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1       -4.170   3.907   0.241  0.00  0.00    +0.292 HD
ENDBRANCH   8  25
TORSDOF 2