REMARK  Name = BDB060901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.519  -0.262   3.329  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.109  -1.198   4.168  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.370  -1.957   4.989  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        2.489  -1.391   4.139  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        3.282  -0.654   3.254  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.699   0.287   2.393  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.314   0.508   2.470  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.466   0.265   4.411  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.940  -0.055   3.349  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1       -1.635  -0.156   2.145  0.00  0.00    -0.288 N 
ATOM     11  C   LIG    1       -3.058   0.197   2.161  0.00  0.00    +0.182 C 
ATOM     12  C   LIG    1       -3.536   0.554   0.785  0.00  0.00    +0.128 A 
ATOM     13  N   LIG    1       -4.711   1.053   0.454  0.00  0.00    -0.231 NA
ATOM     14  C   LIG    1       -4.675   1.216  -0.910  0.00  0.00    +0.090 A 
ATOM     15  C   LIG    1       -3.454   0.797  -1.434  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1       -3.149   0.868  -2.798  0.00  0.00    +0.066 A 
ATOM     17  C   LIG    1       -4.146   1.378  -3.632  0.00  0.00    +0.125 A 
ATOM     18  F   LIG    1       -3.907   1.465  -4.948  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -5.379   1.800  -3.143  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1       -5.660   1.725  -1.773  0.00  0.00    +0.033 A 
ATOM     21  N   LIG    1       -2.761   0.366  -0.336  0.00  0.00    -0.325 N 
ATOM     22  C   LIG    1       -1.418  -0.176  -0.302  0.00  0.00    +0.142 C 
ATOM     23  C   LIG    1       -1.189  -0.949   0.992  0.00  0.00    +0.130 C 
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1        3.534   1.057   1.392  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.964   0.941  -0.020  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1        3.172  -0.300  -0.810  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        2.496  -0.398  -2.025  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        2.613  -1.546  -2.818  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        3.417  -2.602  -2.392  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.101  -2.508  -1.181  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        1.649   0.720  -2.469  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1        0.969   0.642  -3.485  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1        1.653   1.835  -1.668  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1        1.082   2.623  -1.963  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1        3.981  -1.361  -0.389  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1        2.251   1.940  -0.452  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 3