REMARK  Name = BDB013118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.673  -0.377   0.383  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        2.110  -0.849  -0.837  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.741  -0.905  -0.916  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.464  -1.444  -2.138  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.583  -1.644  -2.798  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.102  -0.497   0.121  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.410  -0.072   1.245  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.625  -1.270  -1.975  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.788  -0.014   1.340  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.241   0.999  -1.127  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1        6.329   0.423  -0.086  0.00  0.00    +0.039 A 
ATOM     12  N   LIG    1        6.889   0.029   1.081  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1        6.072  -0.513   2.007  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        4.707  -0.668   1.836  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        4.127  -0.237   0.639  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1        4.966   0.306  -0.340  0.00  0.00    +0.031 A 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1       -1.470  -0.558  -0.018  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.878  -0.475   0.912  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.136   0.404  -0.891  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.593   0.067  -0.986  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.529   0.494  -0.049  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.355   1.288   1.192  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.821   1.594   1.501  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.654   0.603   0.858  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.863   0.118  -0.152  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.328  -0.690  -1.170  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.409  -1.125  -2.124  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.062  -0.749  -2.025  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.204  -1.195  -2.953  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4