REMARK  Name = BDB046637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.695   0.854   0.044  0.00  0.00    +0.131 C 
ATOM      2  C   LIG    1       -1.180  -0.315   0.936  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -0.095  -0.840   1.805  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        0.059  -0.139   2.545  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1        1.148  -1.042   1.170  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        1.479  -0.471  -0.059  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.699  -0.724  -0.671  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        3.653  -1.514  -0.028  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        3.367  -2.041   1.232  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        2.943  -0.153  -2.003  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1        3.995  -0.352  -2.601  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1        1.921   0.601  -2.538  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        2.077   0.999  -3.458  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        0.755   0.936  -1.911  0.00  0.00    -0.174 NA
ATOM     15  C   LIG    1        2.124  -1.800   1.828  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        0.544   0.440  -0.726  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1       -1.906  -1.421   0.155  0.00  0.00    -0.026 A 
ATOM     18  C   LIG    1       -1.497  -2.767   0.171  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -2.192  -3.741  -0.551  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -3.313  -3.383  -1.285  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1       -3.981  -4.317  -1.974  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -3.759  -2.069  -1.303  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -3.064  -1.095  -0.582  0.00  0.00    +0.008 A 
ENDBRANCH   2  17
BRANCH   1  26
ATOM     24  C   LIG    1       -0.395   3.785  -1.011  0.00  0.00    +0.150 C 
ATOM     25  N   LIG    1       -0.242   3.356   0.358  0.00  0.00    -0.337 N 
ATOM     26  C   LIG    1       -0.360   2.079   0.865  0.00  0.00    +0.121 A 
ATOM     27  N   LIG    1       -0.148   2.087   2.171  0.00  0.00    -0.240 NA
ATOM     28  C   LIG    1        0.121   3.385   2.507  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1        0.069   4.190   1.398  0.00  0.00    +0.106 A 
ENDBRANCH   1  26
TORSDOF 2