REMARK  Name = BDB062524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.564  -1.400   1.026  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.379  -0.627   0.382  0.00  0.00    -0.279 N 
ATOM      3  H   LIG    1        0.108   0.323   0.152  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.369  -2.504   1.518  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1       -3.909  -0.144   1.995  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1       -3.728   0.497   0.780  0.00  0.00    -0.312 N 
ATOM      7  C   LIG    1       -2.526   0.051   0.213  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -2.226   0.493  -1.118  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -3.029   1.389  -1.722  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -4.202   1.920  -1.065  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1       -1.873  -0.753   1.137  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1       -4.530   1.459   0.152  0.00  0.00    +0.095 A 
ATOM     13  C   LIG    1       -2.758  -0.876   2.242  0.00  0.00    +0.044 A 
BRANCH   5  14
ATOM     14  C   LIG    1       -5.055  -0.070   2.886  0.00  0.00    +0.179 C 
ATOM     15  O   LIG    1       -4.917  -0.034   4.108  0.00  0.00    -0.291 OA
BRANCH  14  17
ATOM     16  C   LIG    1       -7.412  -0.916   3.098  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -6.446  -0.085   2.270  0.00  0.00    +0.078 C 
ENDBRANCH  14  17
ENDBRANCH   5  14
BRANCH   9  18
ATOM     18  O   LIG    1       -2.828   1.871  -2.989  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -2.032   1.454  -3.360  0.00  0.00    +0.292 HD
ENDBRANCH   9  18
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  C   LIG    1        1.718  -0.956   0.078  0.00  0.00    +0.070 A 
ATOM     21  C   LIG    1        2.482   0.036  -0.556  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1        1.878   1.206  -0.837  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        3.818  -0.178  -0.918  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        4.387  -1.427  -0.632  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        3.642  -2.435   0.004  0.00  0.00    -0.020 A 
ATOM     26  C   LIG    1        2.305  -2.191   0.352  0.00  0.00    +0.032 A 
BRANCH  23  27
ATOM     27  C   LIG    1        4.612   0.839  -1.585  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        4.497   2.200  -1.392  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        5.435   2.786  -2.192  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        5.698   4.197  -2.335  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        6.166   1.902  -2.893  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        5.669   0.720  -2.520  0.00  0.00    +0.143 A 
ENDBRANCH  23  27
BRANCH  25  33
ATOM     33  C   LIG    1        4.283  -3.766   0.299  0.00  0.00    +0.191 C 
BRANCH  33  34
ATOM     34  O   LIG    1        4.600  -4.427  -0.918  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1        3.845  -4.302  -1.518  0.00  0.00    +0.210 HD
ENDBRANCH  33  34
ENDBRANCH  25  33
ENDBRANCH   2  20
TORSDOF 8