REMARK  Name = BDB022193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.698  -1.422   0.859  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1       -1.562  -0.250   0.321  0.00  0.00    +0.083 C 
ATOM      3  C   LIG    1       -2.730  -0.026   1.219  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.972   0.626   1.041  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -4.710   0.588   2.162  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -3.943  -0.082   3.048  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -4.442  -0.296   4.383  0.00  0.00    +0.174 C 
ATOM      8  C   LIG    1       -4.480   1.316  -0.169  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1       -2.752  -0.478   2.516  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -1.724  -1.145   3.135  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -1.691  -1.276   4.138  0.00  0.00    +0.156 HD
ATOM     12  C   LIG    1       -0.590  -1.452   2.411  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        0.433  -1.814   2.996  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -0.837   1.087   0.203  0.00  0.00    -0.037 A 
ATOM     15  C   LIG    1       -0.623   1.623  -1.082  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        0.075   2.824  -1.267  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1        0.264   3.384  -2.645  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        0.547   3.514  -0.148  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        0.351   2.997   1.131  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -0.328   1.790   1.306  0.00  0.00    +0.004 A 
ENDBRANCH   2  14
BRANCH   1  22
ATOM     21  C   LIG    1        0.838  -1.745  -1.061  0.00  0.00    +0.245 C 
ATOM     22  N   LIG    1        0.642  -1.505   0.278  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1        1.412  -1.221   0.872  0.00  0.00    +0.150 HD
ATOM     24  O   LIG    1       -0.087  -1.925  -1.846  0.00  0.00    -0.270 OA
BRANCH  21  28
ATOM     25  C   LIG    1        5.777  -2.460  -0.308  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        4.634  -2.051  -1.190  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1        3.318  -2.084  -0.705  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        2.247  -1.732  -1.539  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        2.491  -1.380  -2.871  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        3.797  -1.360  -3.361  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        4.862  -1.695  -2.525  0.00  0.00    +0.003 A 
ENDBRANCH  21  28
ENDBRANCH   1  22
TORSDOF 3