REMARK  Name = BDB015987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.645   2.129   0.219  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.218   1.094   0.164  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.521   1.351  -0.059  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.982   2.660  -0.222  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.016   3.647  -0.148  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.293   3.416   0.064  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.906   0.199   0.662  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.555   0.504   0.432  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.070   1.827   0.462  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.002   2.846   0.736  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.348   2.558   0.975  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.797   1.240   0.940  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.532  -4.551  -0.629  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.642  -3.270   0.025  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.536  -3.109   1.017  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.378  -1.831   1.374  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.379  -1.173   0.620  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.926  -2.142  -0.251  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.377   3.009  -0.426  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.833   3.977  -1.298  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.194   3.981  -1.186  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.124   4.821  -1.901  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.660   3.082  -0.303  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.555   2.496   0.165  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.427   0.283  -0.101  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.019   0.369  -0.924  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.023  -1.108   0.127  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1       -1.473  -1.353   1.534  0.00  0.00    +0.025 C 
ATOM     29  C   LIG    1       -1.268  -2.847   1.814  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1       -0.898  -3.662   0.570  0.00  0.00    +0.115 C 
ATOM     31  C   LIG    1       -0.219  -2.810  -0.499  0.00  0.00    +0.033 C 
ATOM     32  C   LIG    1       -1.115  -1.663  -0.983  0.00  0.00    +0.025 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -2.093  -4.221   0.022  0.00  0.00    -0.392 OA
ATOM     34  H   LIG    1       -1.831  -4.832  -0.688  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6