REMARK  Name = BDB049930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.306  -1.044   0.249  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        1.129  -0.070   0.765  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.894   0.625   1.464  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.361  -0.168   0.168  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.234  -1.241  -0.699  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        3.336  -1.629  -1.473  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.537  -0.920  -1.338  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.637   0.162  -0.456  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.538   0.576   0.316  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.970  -1.768  -0.640  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.559   1.717   1.266  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        2.634   1.907   2.049  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.621   2.575   1.220  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.272   2.605   0.449  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        4.555   3.400   1.802  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  16
ATOM     16  C   LIG    1       -1.156  -1.238   0.676  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -1.446  -0.564   2.041  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -1.325  -2.769   0.901  0.00  0.00    +0.036 C 
BRANCH  16  20
ATOM     19  C   LIG    1       -3.430  -1.266  -0.349  0.00  0.00    +0.106 C 
ATOM     20  N   LIG    1       -2.072  -0.734  -0.395  0.00  0.00    -0.291 NA
BRANCH  20  21
ATOM     21  C   LIG    1       -1.952   0.719  -0.620  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -2.360   1.087  -2.067  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -2.993   2.365  -1.468  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -3.138   1.587  -0.138  0.00  0.00    +0.019 C 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 4