REMARK  Name = BDB018750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.673  -0.525   0.446  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.648   0.415   0.251  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.665   0.134   0.645  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -1.755   1.164   0.522  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -3.131   0.515   0.327  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -4.249   1.569   0.373  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -5.214   1.214  -0.714  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -4.788  -0.073  -1.309  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1       -3.337  -0.564   1.392  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1       -2.257  -1.365   1.667  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -2.440  -2.163   2.262  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -4.422  -0.803   1.917  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.287  -0.107  -1.069  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -0.952  -1.092   1.251  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        0.055  -2.028   1.470  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        1.360  -1.747   1.061  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        3.679   0.745   2.280  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        4.014   0.367   0.860  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1        3.043  -0.233   0.018  0.00  0.00    -0.004 A 
ATOM     20  C   LIG    1        3.417  -0.567  -1.305  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        4.710  -0.302  -1.742  0.00  0.00    +0.066 A 
ATOM     22  N   LIG    1        4.752  -0.733  -3.043  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        5.539  -0.698  -3.680  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        3.596  -1.255  -3.487  0.00  0.00    -0.181 NA
ATOM     25  C   LIG    1        5.682   0.286  -0.933  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        2.787  -1.154  -2.430  0.00  0.00    +0.143 A 
ATOM     27  C   LIG    1        5.308   0.614   0.374  0.00  0.00    +0.006 A 
ENDBRANCH   1  19
BRANCH   7  28
ATOM     28  C   LIG    1       -6.472   1.671  -0.761  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -7.557   2.072  -0.806  0.00  0.00    -0.174 NA
ENDBRANCH   7  28
TORSDOF 2