REMARK  Name = BDB048740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.628   0.800   1.296  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        1.804   0.782   0.500  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        2.811   1.123   1.375  0.00  0.00    +0.113 A 
ATOM      4  N   LIG    1        2.221   1.278   2.595  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1        2.667   1.516   3.475  0.00  0.00    +0.188 HD
ATOM      6  N   LIG    1        0.890   1.099   2.579  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -5.311  -0.164   0.415  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -4.377   0.164   1.409  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1       -3.038   0.262   1.024  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -2.604   0.052  -0.279  0.00  0.00    +0.090 A 
ATOM     11  N   LIG    1       -1.243   0.212  -0.380  0.00  0.00    -0.226 NA
ATOM     12  C   LIG    1       -0.840   0.513   0.839  0.00  0.00    +0.160 A 
ATOM     13  C   LIG    1       -3.545  -0.275  -1.265  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -1.894   0.554   1.714  0.00  0.00    -0.337 N 
ATOM     15  H   LIG    1       -1.801   0.766   2.697  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1       -4.898  -0.380  -0.904  0.00  0.00    +0.048 A 
BRANCH   7  18
ATOM     17  C   LIG    1       -7.603  -0.576  -0.083  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -6.602  -0.241   0.870  0.00  0.00    -0.495 OA
ENDBRANCH   7  18
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1        1.923   0.525  -0.899  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        2.969   0.055  -1.600  0.00  0.00    +0.010 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.271  -0.381  -1.092  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1        4.405  -1.402  -0.154  0.00  0.00    +0.118 A 
ATOM     23  N   LIG    1        5.592  -1.845   0.328  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        6.701  -1.254  -0.165  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        6.679  -0.243  -1.111  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.444   0.196  -1.583  0.00  0.00    +0.011 A 
ENDBRANCH  20  21
ENDBRANCH   2  19
TORSDOF 4