REMARK  Name = BDB049928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.695  -0.148  -0.405  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.444   0.582  -0.154  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1       -0.506   1.588  -0.086  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -1.503  -0.284  -0.041  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -0.949  -1.533  -0.290  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -1.779  -2.665  -0.308  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.153  -2.502  -0.091  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.690  -1.237   0.158  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.868  -0.101   0.209  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.403  -1.435  -0.495  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -3.454   1.223   0.498  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -4.586   1.522   0.150  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -2.680   2.086   1.230  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.189   2.898   1.562  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -2.017   1.694   1.887  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  16
ATOM     16  C   LIG    1        2.067   0.478  -0.601  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1        2.264   1.732   0.271  0.00  0.00    +0.035 C 
ATOM     18  C   LIG    1        2.200   0.889  -2.082  0.00  0.00    +0.035 C 
BRANCH  16  20
ATOM     19  C   LIG    1        3.323  -0.897   1.034  0.00  0.00    +0.102 C 
ATOM     20  N   LIG    1        3.130  -0.526  -0.363  0.00  0.00    -0.308 NA
ATOM     21  H   LIG    1        2.834  -1.371  -0.863  0.00  0.00    +0.123 HD
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 3