REMARK  Name = BDB062443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.023   1.220   0.066  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.339   0.857   0.017  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        2.315   1.754  -0.444  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        1.923   3.049  -0.818  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.580   3.421  -0.778  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -0.384   2.511  -0.348  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.128  -0.929   0.279  0.00  0.00    +0.056 A 
ATOM      8  C   LIG    1       -2.179  -0.032  -0.215  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.041   0.273   0.545  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.929  -0.370   1.782  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1       -1.821  -1.264   2.279  0.00  0.00    -0.262 NA
ATOM     12  C   LIG    1       -2.895  -1.536   1.503  0.00  0.00    +0.123 A 
BRANCH   7  15
ATOM     13  C   LIG    1       -5.915  -0.477   1.246  0.00  0.00    +0.132 C 
ATOM     14  N   LIG    1       -5.573  -1.244   0.055  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1       -4.308  -1.278  -0.531  0.00  0.00    +0.248 C 
ATOM     16  O   LIG    1       -4.111  -1.602  -1.700  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -6.696  -1.742  -0.722  0.00  0.00    +0.132 C 
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  N   LIG    1        3.703   1.417  -0.491  0.00  0.00    -0.227 N 
ATOM     19  C   LIG    1        4.351   0.197  -0.502  0.00  0.00    +0.161 A 
ATOM     20  C   LIG    1        5.682   0.452  -0.191  0.00  0.00    +0.108 A 
ATOM     21  C   LIG    1        5.778   1.850  -0.224  0.00  0.00    +0.150 A 
ATOM     22  N   LIG    1        4.612   2.434  -0.480  0.00  0.00    -0.173 NA
BRANCH  19  23
ATOM     23  C   LIG    1        3.709  -1.078  -0.854  0.00  0.00    +0.435 C 
ATOM     24  F   LIG    1        2.647  -0.920  -1.682  0.00  0.00    -0.164 F 
ATOM     25  F   LIG    1        4.555  -1.910  -1.512  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1        3.267  -1.737   0.243  0.00  0.00    -0.164 F 
ENDBRANCH  19  23
BRANCH  20  27
ATOM     27  C   LIG    1        6.723  -0.515   0.056  0.00  0.00    +0.340 C 
ATOM     28  O   LIG    1        6.556  -1.713   0.214  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        7.960   0.017   0.134  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        8.531  -0.761   0.305  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH   3  18
TORSDOF 6