REMARK  Name = BDB061785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.456   1.379   1.454  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.583   2.082   2.647  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.206   3.129   2.921  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.515   1.678   3.598  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.333   0.572   3.347  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.237  -0.132   2.134  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        1.279   0.277   1.191  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -3.292   0.183  -1.518  0.00  0.00    +0.074 C 
ATOM      9  N   LIG    1       -4.131  -0.452  -0.461  0.00  0.00    -0.289 NA
ATOM     10  C   LIG    1       -3.442  -0.454   0.857  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -1.913  -0.270   0.806  0.00  0.00    +0.123 C 
ATOM     12  N   LIG    1       -1.558   0.970   0.102  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1       -0.520   1.826   0.448  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.347   2.924  -0.074  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.455   1.374  -0.983  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     16  C   LIG    1       -4.550  -0.630  -3.595  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -3.999   0.571  -2.835  0.00  0.00    +0.017 C 
ENDBRANCH   8  17
BRANCH   9  18
ATOM     18  C   LIG    1       -5.505   0.111  -0.319  0.00  0.00    +0.198 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -6.465  -0.546   0.702  0.00  0.00    +0.402 C 
ATOM     20  F   LIG    1       -7.696   0.012   0.610  0.00  0.00    -0.169 F 
ATOM     21  F   LIG    1       -6.045  -0.376   1.976  0.00  0.00    -0.169 F 
ATOM     22  F   LIG    1       -6.604  -1.872   0.483  0.00  0.00    -0.169 F 
ENDBRANCH  18  19
ENDBRANCH   9  18
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  C   LIG    1        3.116  -1.346   1.895  0.00  0.00    +0.162 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.650  -1.444   0.536  0.00  0.00    -0.289 N 
ATOM     25  C   LIG    1        4.753  -0.638   0.115  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        5.240  -0.765  -1.192  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1        6.318   0.004  -1.651  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        6.927   0.920  -0.799  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.458   1.063   0.503  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        4.604  -1.728  -2.103  0.00  0.00    +0.262 A 
ATOM     31  O   LIG    1        4.988  -1.884  -3.256  0.00  0.00    -0.267 OA
ATOM     32  N   LIG    1        3.558  -2.440  -1.586  0.00  0.00    -0.274 N 
ATOM     33  H   LIG    1        3.106  -3.093  -2.207  0.00  0.00    +0.173 HD
ATOM     34  C   LIG    1        5.381   0.291   0.957  0.00  0.00    +0.027 A 
ATOM     35  C   LIG    1        3.037  -2.339  -0.329  0.00  0.00    +0.330 A 
ATOM     36  O   LIG    1        2.060  -3.023  -0.028  0.00  0.00    -0.246 OA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 6