REMARK  Name = BDB061817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.340  -1.879  -0.006  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.686  -2.809  -0.235  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        1.914  -2.523   0.313  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1        3.097  -3.249   0.234  0.00  0.00    -0.306 N 
ATOM      5  H   LIG    1        3.249  -4.119  -0.250  0.00  0.00    +0.170 HD
ATOM      6  C   LIG    1        4.100  -2.565   0.939  0.00  0.00    +0.328 A 
ATOM      7  N   LIG    1        3.498  -1.407   1.467  0.00  0.00    -0.288 N 
ATOM      8  O   LIG    1        5.260  -2.925   1.051  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1        2.154  -1.378   1.074  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        1.157  -0.460   1.326  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1       -0.107  -0.721   0.779  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  13
ATOM     12  O   LIG    1       -2.027  -3.318  -0.802  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -1.679  -2.163  -0.589  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1       -2.454  -1.067  -0.900  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -2.005  -0.163  -0.975  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -3.726  -1.248  -1.555  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.486   0.055  -1.638  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1       -4.970   0.724  -0.488  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1       -5.656   1.944  -0.649  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -5.871   2.489  -1.914  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -5.399   1.828  -3.042  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.711   0.623  -2.906  0.00  0.00    +0.006 A 
BRANCH  18  23
ATOM     23  C   LIG    1       -4.743   0.193   0.913  0.00  0.00    +0.418 C 
ATOM     24  F   LIG    1       -3.459   0.374   1.335  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -5.011  -1.133   1.045  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -5.519   0.812   1.850  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        4.183  -0.404   2.241  0.00  0.00    +0.162 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.500   0.843   1.448  0.00  0.00    -0.028 A 
ATOM     29  C   LIG    1        3.983   2.088   1.836  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.283   3.239   1.105  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.105   3.159  -0.017  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.632   1.930  -0.408  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.334   0.779   0.322  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 6