REMARK  Name = BDB059742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.265  -0.237   1.280  0.00  0.00    +0.114 A 
ATOM      2  N   LIG    1       -2.135   0.004   0.233  0.00  0.00    -0.325 N 
ATOM      3  C   LIG    1       -1.808   0.119  -1.173  0.00  0.00    +0.142 C 
ATOM      4  C   LIG    1       -2.643   1.166  -1.898  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1       -3.995   0.723  -2.165  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1       -4.372   0.874  -3.096  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -4.981   0.466  -1.250  0.00  0.00    +0.248 C 
ATOM      8  C   LIG    1       -4.675   0.330   0.183  0.00  0.00    +0.080 A 
ATOM      9  C   LIG    1       -5.722   0.371   1.105  0.00  0.00    +0.126 A 
ATOM     10  N   LIG    1       -5.593   0.251   2.450  0.00  0.00    -0.260 NA
ATOM     11  C   LIG    1       -4.353   0.056   2.964  0.00  0.00    +0.140 A 
ATOM     12  C   LIG    1       -3.241  -0.017   2.118  0.00  0.00    +0.108 A 
ATOM     13  O   LIG    1       -6.139   0.355  -1.644  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -3.410   0.124   0.743  0.00  0.00    +0.084 A 
ATOM     15  N   LIG    1       -1.923  -0.224   2.424  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  19
ATOM     16  N   LIG    1        2.734  -0.658  -0.395  0.00  0.00    -0.302 NA
ATOM     17  C   LIG    1        2.126  -1.797   0.304  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1        0.603  -1.706   0.359  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1        0.219  -0.495   1.207  0.00  0.00    +0.058 C 
ATOM     20  C   LIG    1        1.060   0.750   0.897  0.00  0.00    +0.026 C 
ATOM     21  C   LIG    1        1.967   0.589  -0.325  0.00  0.00    +0.085 C 
BRANCH  16  22
ATOM     22  C   LIG    1        4.149  -0.509  -0.025  0.00  0.00    +0.084 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.432   0.296  -0.730  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        4.958   0.222  -1.103  0.00  0.00    +0.012 C 
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 3