REMARK  Name = BDB060808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.346  -0.196  -0.122  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1        1.087  -0.760  -0.300  0.00  0.00    +0.135 C 
ATOM      3  C   LIG    1        2.233  -0.087   0.409  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        3.116   0.463  -0.525  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        4.244   1.163  -0.137  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        4.492   1.298   1.231  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        3.624   0.727   2.176  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1        2.680   0.172  -1.821  0.00  0.00    -0.272 N 
ATOM      9  C   LIG    1        3.374   0.573  -3.016  0.00  0.00    +0.138 C 
ATOM     10  C   LIG    1        2.490   0.023   1.768  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        1.507  -0.580  -1.806  0.00  0.00    +0.245 C 
ATOM     12  O   LIG    1        0.914  -1.047  -2.770  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1        1.019  -2.203   0.029  0.00  0.00    -0.288 NA
ATOM     14  H   LIG    1        1.683  -2.735  -0.538  0.00  0.00    +0.124 HD
ATOM     15  C   LIG    1       -0.377  -2.627  -0.274  0.00  0.00    +0.168 C 
ATOM     16  C   LIG    1       -1.195  -1.440   0.260  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -0.601   4.175   2.600  0.00  0.00    +0.071 C 
ATOM     18  C   LIG    1       -0.604   2.789   2.073  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -0.343   2.319   0.761  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -0.480   0.946   0.843  0.00  0.00    +0.174 A 
ATOM     21  O   LIG    1       -0.794   0.628   2.131  0.00  0.00    -0.357 OA
ATOM     22  N   LIG    1       -0.877   1.769   2.897  0.00  0.00    -0.081 NA
BRANCH  19  23
ATOM     23  N   LIG    1        0.006   3.079  -0.396  0.00  0.00    +0.062 N 
ATOM     24  O   LIG    1        0.286   2.452  -1.424  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1        0.008   4.310  -0.283  0.00  0.00    -0.126 OA
ENDBRANCH  19  23
ENDBRANCH   1  20
BRANCH  16  26
ATOM     26  C   LIG    1       -2.617  -1.344  -0.257  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -2.916  -1.363  -1.628  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.236  -1.261  -2.070  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.274  -1.135  -1.150  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.993  -1.108   0.213  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.674  -1.210   0.658  0.00  0.00    +0.004 A 
ENDBRANCH  16  26
BRANCH  15  32
ATOM     32  C   LIG    1       -0.819  -3.970   0.343  0.00  0.00    +0.405 C 
ATOM     33  F   LIG    1       -0.010  -4.972  -0.081  0.00  0.00    -0.169 F 
ATOM     34  F   LIG    1       -2.078  -4.300  -0.018  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1       -0.769  -3.950   1.694  0.00  0.00    -0.169 F 
ENDBRANCH  15  32
TORSDOF 4