REMARK  Name = BDB044318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.042   0.892   3.233  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.230   0.837   2.021  0.00  0.00    +0.269 C 
ATOM      3  N   LIG    1        0.345   0.286   1.107  0.00  0.00    -0.278 N 
ATOM      4  H   LIG    1        0.541   0.399   0.123  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.448   1.374   1.382  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1        3.262   0.765   0.382  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        3.190  -0.568  -0.285  0.00  0.00    +0.043 C 
ATOM      8  C   LIG    1        4.403  -0.898  -1.135  0.00  0.00    -0.003 C 
ATOM      9  C   LIG    1        5.500   0.134  -1.386  0.00  0.00    -0.002 C 
ATOM     10  C   LIG    1        5.413   1.525  -0.793  0.00  0.00    +0.059 C 
ATOM     11  C   LIG    1        5.762  -1.057  -0.494  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1        4.268   1.674   0.140  0.00  0.00    +0.040 A 
ATOM     13  N   LIG    1        4.039   2.732   0.960  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1        4.585   3.581   1.069  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1        2.939   2.585   1.715  0.00  0.00    -0.169 NA
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1       -0.850  -0.315   1.446  0.00  0.00    +0.072 A 
ATOM     17  C   LIG    1       -1.740  -0.816   0.526  0.00  0.00    +0.132 A 
ATOM     18  N   LIG    1       -2.796  -1.309   1.246  0.00  0.00    -0.265 N 
ATOM     19  N   LIG    1       -2.630  -1.193   2.579  0.00  0.00    -0.177 NA
ATOM     20  C   LIG    1       -1.450  -0.573   2.697  0.00  0.00    +0.157 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.988  -1.960   0.716  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.858  -1.001  -0.059  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1       -5.460   0.093   0.584  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -6.269   0.977  -0.130  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.490   0.777  -1.491  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.903  -0.308  -2.140  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.092  -1.194  -1.428  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   3  16
TORSDOF 4