REMARK  Name = BDB000949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.055  -0.436  -0.341  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        1.207   0.268  -0.596  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        1.383   0.889  -1.377  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.099   0.029   0.420  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.427  -0.837   1.267  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.061  -1.282   2.435  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.356  -0.825   2.713  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.013   0.050   1.840  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.400   0.493   0.656  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.176  -1.123   0.782  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  12
ATOM     11  N   LIG    1       -2.388   0.108  -0.704  0.00  0.00    -0.290 NA
ATOM     12  C   LIG    1       -1.122  -0.383  -1.286  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -1.336  -1.758  -1.956  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1       -2.008  -2.776  -1.040  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -3.270  -2.188  -0.426  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1       -2.999  -0.838   0.238  0.00  0.00    +0.085 C 
BRANCH  11  18
ATOM     17  C   LIG    1       -1.763   1.831   1.085  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -2.453   1.507  -0.247  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1       -1.995   2.501  -1.323  0.00  0.00    +0.024 C 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   9  20
ATOM     20  C   LIG    1        4.030   1.414  -0.323  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        3.376   1.913  -1.234  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1        5.367   1.665  -0.206  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        5.986   1.110   0.365  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        5.787   2.212  -0.948  0.00  0.00    +0.145 HD
ENDBRANCH   9  20
TORSDOF 3