REMARK  Name = BDB023082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.842   0.148  -0.509  0.00  0.00    +0.120 C 
ATOM      2  C   LIG    1       -0.356   0.886   0.753  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        1.180   0.712   0.777  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1        1.524  -0.287  -0.339  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1        0.188  -0.978  -0.634  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1       -6.940  -0.102   0.045  0.00  0.00    -0.169 NA
ATOM      7  C   LIG    1       -5.752   0.433   0.060  0.00  0.00    +0.182 A 
ATOM      8  C   LIG    1       -4.482  -0.233  -0.257  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1       -4.093  -1.514  -0.723  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -2.713  -1.523  -0.840  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -2.231  -0.291  -0.453  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1       -3.311   0.479  -0.127  0.00  0.00    +0.124 A 
ATOM     13  N   LIG    1       -3.307   1.764   0.262  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1       -2.446   2.294   0.430  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -4.524   2.338   0.521  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1       -5.686   1.772   0.434  0.00  0.00    -0.216 NA
BRANCH   6  17
ATOM     17  N   LIG    1       -7.086  -1.421  -0.238  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1       -8.084  -1.640  -0.268  0.00  0.00    +0.164 HD
ATOM     19  H   LIG    1       -6.709  -1.985   0.527  0.00  0.00    +0.164 HD
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1       -0.707   2.279   0.719  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        0.155   2.747   0.633  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1        1.791   1.980   0.506  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.753   1.873   0.632  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1        2.623  -1.298   0.024  0.00  0.00    +0.150 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.990  -0.656   0.159  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1        4.513  -0.278   1.408  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        5.767   0.322   1.492  0.00  0.00    +0.159 A 
ATOM     28  F   LIG    1        6.244   0.676   2.693  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1        6.513   0.558   0.346  0.00  0.00    +0.158 A 
ATOM     30  F   LIG    1        7.718   1.138   0.430  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1        6.015   0.198  -0.900  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        4.757  -0.406  -0.994  0.00  0.00    +0.009 A 
ENDBRANCH  24  25
BRANCH  24  33
ATOM     33  O   LIG    1        2.271  -1.988   1.220  0.00  0.00    -0.387 OA
ATOM     34  H   LIG    1        2.968  -2.648   1.385  0.00  0.00    +0.210 HD
ENDBRANCH  24  33
ENDBRANCH   4  24
TORSDOF 7