REMARK  Name = BDB041349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.332  -0.291  -0.746  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        4.338  -0.032  -1.625  0.00  0.00    -0.245 NA
ATOM      3  C   LIG    1        3.271   0.677  -1.169  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1        2.189   0.937  -2.177  0.00  0.00    +0.059 C 
ATOM      5  C   LIG    1        1.442   2.208  -1.823  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1        0.929   2.171  -0.384  0.00  0.00    +0.088 C 
ATOM      7  N   LIG    1        1.999   1.847   0.593  0.00  0.00    -0.323 N 
ATOM      8  C   LIG    1        1.506   1.500   1.950  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1        0.024   1.892   2.144  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -0.888   1.252   1.168  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -0.284   1.216  -0.190  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1        3.117   1.121   0.156  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        4.185   0.837   1.019  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        5.301   0.127   0.575  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        8.080  -2.896  -0.863  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        7.047  -2.002  -0.404  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        6.488  -2.295   0.387  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        6.502  -1.066  -1.275  0.00  0.00    +0.262 C 
ATOM     19  O   LIG    1        6.929  -0.887  -2.410  0.00  0.00    -0.269 OA
ENDBRANCH   1  18
BRANCH  10  20
ATOM     20  C   LIG    1       -2.206   1.901   1.199  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.293   1.020   0.646  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1       -3.760  -0.083   1.364  0.00  0.00    +0.156 A 
ATOM     23  F   LIG    1       -3.260  -0.348   2.582  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1       -4.757  -0.915   0.847  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1       -5.323  -0.663  -0.410  0.00  0.00    +0.128 A 
ATOM     26  N   LIG    1       -6.331  -1.488  -0.951  0.00  0.00    -0.242 NA
ATOM     27  C   LIG    1       -6.737  -2.510  -0.254  0.00  0.00    +0.103 A 
ATOM     28  C   LIG    1       -6.176  -2.858   1.123  0.00  0.00    +0.270 A 
ATOM     29  O   LIG    1       -6.588  -3.828   1.740  0.00  0.00    -0.266 OA
ATOM     30  C   LIG    1       -7.806  -3.417  -0.791  0.00  0.00    +0.071 C 
ATOM     31  C   LIG    1       -4.860   0.446  -1.125  0.00  0.00    +0.186 A 
ATOM     32  F   LIG    1       -5.374   0.731  -2.332  0.00  0.00    -0.200 F 
ATOM     33  N   LIG    1       -5.202  -2.015   1.591  0.00  0.00    -0.317 N 
ATOM     34  H   LIG    1       -4.799  -2.214   2.500  0.00  0.00    +0.169 HD
ATOM     35  C   LIG    1       -3.864   1.271  -0.603  0.00  0.00    +0.168 A 
ATOM     36  F   LIG    1       -3.446   2.325  -1.320  0.00  0.00    -0.202 F 
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 3