REMARK  Name = BDB060424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.395  -0.916   1.264  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        1.054  -1.210   1.973  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.920  -0.535   0.042  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.340   0.090  -0.838  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -3.012   2.023  -2.348  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -3.172   1.290  -1.119  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -2.650   1.623  -0.322  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -4.343   0.642  -0.830  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -4.417   0.015   0.421  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -3.324  -0.333   1.290  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.571  -0.583   2.655  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -2.512  -0.883   3.524  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.209  -0.980   3.043  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -0.945  -0.782   1.688  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -4.969  -0.521   3.204  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -5.921  -1.047   2.149  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.007  -0.491   0.822  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -5.786  -0.211   0.889  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -5.298   0.684  -1.607  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        2.358  -0.875  -0.156  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        3.155   0.002  -0.907  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        4.517  -0.265  -1.128  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1        5.054  -1.443  -0.582  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        4.261  -2.331   0.150  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.912  -2.051   0.361  0.00  0.00    +0.013 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.354   0.660  -1.909  0.00  0.00    -0.015 A 
ATOM     27  C   LIG    1        6.129   0.206  -2.983  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        6.904   1.115  -3.688  0.00  0.00    +0.111 A 
ATOM     29  N   LIG    1        6.965   2.431  -3.400  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1        6.212   2.857  -2.366  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        5.405   2.026  -1.605  0.00  0.00    +0.028 A 
ENDBRANCH  22  26
ENDBRANCH   3  20
TORSDOF 3