REMARK  Name = BDB049976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.623   0.440   0.868  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -0.092  -0.627   0.024  0.00  0.00    +0.029 C 
ATOM      3  C   LIG    1       -1.509  -0.181  -0.335  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -1.572   1.192  -0.833  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1       -2.735   1.973  -0.842  0.00  0.00    +0.264 C 
ATOM      6  O   LIG    1       -2.668   3.198  -0.953  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -0.289   1.858  -1.042  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.532   1.850   0.244  0.00  0.00    +0.029 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.855  -0.920   4.242  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1        3.580  -0.622   2.799  0.00  0.00    +0.039 A 
ATOM     11  N   LIG    1        2.322  -0.247   2.473  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1        2.048   0.027   1.177  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        3.014  -0.077   0.178  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1        4.312  -0.463   0.519  0.00  0.00    -0.012 A 
ATOM     15  C   LIG    1        4.595  -0.740   1.857  0.00  0.00    +0.031 A 
BRANCH  14  16
ATOM     16  C   LIG    1        5.333  -0.578  -0.507  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        6.683  -0.362  -0.319  0.00  0.00    +0.116 A 
ATOM     18  N   LIG    1        7.277  -0.555  -1.533  0.00  0.00    -0.274 N 
ATOM     19  C   LIG    1        8.681  -0.437  -1.842  0.00  0.00    +0.172 C 
ATOM     20  N   LIG    1        6.411  -0.883  -2.507  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1        5.230  -0.895  -1.883  0.00  0.00    +0.142 A 
ENDBRANCH  14  16
ENDBRANCH   1  12
BRANCH   5  22
ATOM     22  C   LIG    1       -4.031   1.352  -0.693  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1       -5.108   2.100  -0.291  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1       -5.106   3.092  -0.074  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1       -6.254   1.411  -0.176  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1       -5.929   0.178  -0.582  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1       -4.557   0.096  -0.926  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -6.955  -0.917  -0.643  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1       -8.076  -0.592  -1.633  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1       -7.531  -1.234   0.738  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   5  22
TORSDOF 4