REMARK  Name = BDB000294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.434  -0.645   1.262  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        0.281  -0.446   0.478  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.733  -1.413   0.411  0.00  0.00    +0.079 A 
ATOM      4  N   LIG    1       -1.892  -1.255  -0.398  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1       -2.977  -2.116  -0.243  0.00  0.00    +0.264 C 
ATOM      6  C   LIG    1       -2.841  -3.150   0.834  0.00  0.00    +0.186 C 
ATOM      7  C   LIG    1       -3.898  -4.220   1.004  0.00  0.00    +0.062 C 
ATOM      8  O   LIG    1       -1.500  -3.598   1.133  0.00  0.00    -0.475 OA
ATOM      9  C   LIG    1       -3.785  -3.119   2.016  0.00  0.00    +0.062 C 
ATOM     10  O   LIG    1       -4.024  -2.012  -0.875  0.00  0.00    -0.271 OA
ATOM     11  C   LIG    1       -0.580  -2.584   1.162  0.00  0.00    +0.143 A 
ATOM     12  C   LIG    1        0.560  -2.805   1.935  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        1.562  -1.838   1.988  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        3.547   0.446   0.433  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        2.478   0.385   1.326  0.00  0.00    +0.043 A 
ATOM     16  C   LIG    1        2.465   1.395   2.294  0.00  0.00    +0.129 A 
ATOM     17  N   LIG    1        3.405   2.347   2.372  0.00  0.00    -0.199 NA
ATOM     18  C   LIG    1        4.392   2.305   1.482  0.00  0.00    +0.214 A 
ATOM     19  N   LIG    1        4.494   1.409   0.501  0.00  0.00    -0.219 NA
BRANCH  16  20
ATOM     20  N   LIG    1        1.452   1.455   3.270  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        0.542   1.480   2.821  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        1.487   0.611   3.836  0.00  0.00    +0.144 HD
ENDBRANCH  16  20
BRANCH  18  23
ATOM     23  N   LIG    1        5.356   3.288   1.550  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1        5.769   3.429   0.639  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        4.982   4.096   2.027  0.00  0.00    +0.145 HD
ENDBRANCH  18  23
BRANCH  14  27
ATOM     26  C   LIG    1        3.132  -0.015  -1.999  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1        3.726  -0.537  -0.699  0.00  0.00    +0.053 C 
ENDBRANCH  14  27
ENDBRANCH   1  15
BRANCH   4  28
ATOM     28  C   LIG    1       -2.011  -0.166  -1.368  0.00  0.00    +0.132 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.743   1.053  -0.782  0.00  0.00    +0.123 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -2.330   2.330  -1.347  0.00  0.00    -0.314 N 
ATOM     31  H   LIG    1       -2.341   3.130  -0.727  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -2.431   2.585  -2.697  0.00  0.00    +0.210 C 
ATOM     33  O   LIG    1       -2.727   1.735  -3.529  0.00  0.00    -0.276 OA
ATOM     34  C   LIG    1       -2.142   4.012  -3.079  0.00  0.00    +0.109 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 7