REMARK  Name = BDB046824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.152   0.768  -0.175  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1        0.598  -0.537  -0.136  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1       -0.131  -1.234  -0.158  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.853   1.756  -0.364  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -3.561   0.754   0.251  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.281   0.153   0.570  0.00  0.00    -0.010 A 
ATOM      7  C   LIG    1       -2.092  -1.043   1.446  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -1.293   0.904  -0.062  0.00  0.00    +0.106 A 
ATOM      9  N   LIG    1       -1.924   1.989  -0.623  0.00  0.00    -0.354 N 
ATOM     10  H   LIG    1       -1.424   2.724  -1.109  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -3.287   1.892  -0.500  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -4.155   2.917  -1.139  0.00  0.00    +0.064 C 
BRANCH   5  14
ATOM     13  C   LIG    1       -6.089   1.131   0.613  0.00  0.00    +0.091 C 
ATOM     14  C   LIG    1       -4.880   0.234   0.656  0.00  0.00    +0.162 C 
ATOM     15  O   LIG    1       -5.013  -0.934   1.026  0.00  0.00    -0.292 OA
ENDBRANCH   5  14
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1        1.927  -1.017  -0.177  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        2.139  -2.412  -0.245  0.00  0.00    -0.029 A 
ATOM     18  C   LIG    1        1.005  -3.402  -0.284  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1        3.453  -2.907  -0.279  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        4.544  -2.040  -0.244  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        4.353  -0.657  -0.170  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1        3.038  -0.161  -0.134  0.00  0.00    +0.036 A 
BRANCH  21  23
ATOM     23  C   LIG    1        5.512   0.226  -0.128  0.00  0.00    +0.248 A 
ATOM     24  O   LIG    1        5.283   1.577  -0.050  0.00  0.00    -0.423 OA
ATOM     25  C   LIG    1        6.551   2.069  -0.031  0.00  0.00    +0.332 A 
ATOM     26  N   LIG    1        7.475   1.140  -0.088  0.00  0.00    -0.116 NA
ATOM     27  N   LIG    1        6.800  -0.062  -0.151  0.00  0.00    -0.108 NA
ENDBRANCH  21  23
ENDBRANCH   2  16
TORSDOF 4