REMARK  Name = BDB046630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.159   0.736  -0.476  0.00  0.00    +0.132 C 
ATOM      2  C   LIG    1       -0.444  -0.742  -0.131  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.598  -1.627  -0.675  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        0.395  -2.614  -0.523  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1        1.912  -1.274  -0.352  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.280   0.049  -0.089  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.601   0.390   0.176  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.599  -0.586   0.149  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.259  -1.901  -0.162  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        3.921   1.792   0.479  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1        5.065   2.144   0.737  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1        2.860   2.667   0.465  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        3.065   3.648   0.636  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        1.568   2.361   0.162  0.00  0.00    -0.174 NA
ATOM     15  C   LIG    1        2.926  -2.237  -0.424  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        1.269   1.121  -0.097  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1       -1.786  -1.242  -0.654  0.00  0.00    -0.026 A 
ATOM     18  C   LIG    1       -2.821  -1.557   0.243  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -4.056  -2.007  -0.230  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -4.260  -2.144  -1.597  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1       -5.444  -2.578  -2.047  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -3.253  -1.839  -2.504  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -2.019  -1.388  -2.035  0.00  0.00    +0.008 A 
ENDBRANCH   2  17
BRANCH   1  26
ATOM     24  C   LIG    1       -0.390   1.763   2.576  0.00  0.00    +0.174 C 
ATOM     25  N   LIG    1       -1.256   2.046   1.462  0.00  0.00    -0.251 N 
ATOM     26  C   LIG    1       -1.178   1.655   0.146  0.00  0.00    +0.138 A 
ATOM     27  N   LIG    1       -2.199   2.186  -0.504  0.00  0.00    -0.219 NA
ATOM     28  C   LIG    1       -2.874   2.878   0.454  0.00  0.00    +0.245 A 
ATOM     29  N   LIG    1       -2.350   2.803   1.676  0.00  0.00    -0.158 NA
ENDBRANCH   1  26
TORSDOF 2