REMARK  Name = BDB061819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.396  -0.053   0.772  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.175   1.266   0.348  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.980   1.500  -0.365  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1       -1.448   2.695  -0.899  0.00  0.00    -0.306 N 
ATOM      5  H   LIG    1       -1.017   3.604  -0.843  0.00  0.00    +0.170 HD
ATOM      6  C   LIG    1       -2.678   2.461  -1.532  0.00  0.00    +0.328 A 
ATOM      7  N   LIG    1       -2.948   1.087  -1.389  0.00  0.00    -0.288 N 
ATOM      8  O   LIG    1       -3.361   3.306  -2.087  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1       -1.906   0.497  -0.660  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -1.716  -0.801  -0.242  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1       -0.549  -1.071   0.486  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  13
ATOM     12  O   LIG    1        1.577  -1.404   2.298  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        1.607  -0.430   1.554  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1        2.729   0.346   1.361  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        2.756   0.998   0.587  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1        3.995  -0.005   1.961  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.823  -0.852   1.019  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1        5.546  -0.294  -0.062  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        6.288  -1.146  -0.901  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        6.303  -2.525  -0.690  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.573  -3.074   0.358  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.836  -2.246   1.204  0.00  0.00    +0.006 A 
BRANCH  18  23
ATOM     23  C   LIG    1        5.536   1.193  -0.334  0.00  0.00    +0.418 C 
ATOM     24  F   LIG    1        6.119   1.913   0.664  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        4.271   1.693  -0.463  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        6.186   1.550  -1.477  0.00  0.00    -0.166 F 
ENDBRANCH  18  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  C   LIG    1       -4.141   0.432  -1.857  0.00  0.00    +0.162 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.182   0.267  -0.774  0.00  0.00    -0.025 A 
ATOM     29  C   LIG    1       -5.527  -1.005  -0.299  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1       -6.486  -1.137   0.701  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1       -6.804  -2.360   1.147  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.117  -0.025   1.244  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1       -6.786   1.245   0.778  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1       -5.825   1.390  -0.227  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 6