REMARK  Name = BDB017095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.976  -0.953   0.046  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        0.601  -0.821  -0.173  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.077  -1.830  -0.849  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        0.551  -2.942  -1.302  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        1.875  -3.053  -1.080  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1        2.624  -2.097  -0.421  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        4.191   1.238   1.629  0.00  0.00    -0.124 N 
ATOM      8  N   LIG    1        4.032   0.048   1.006  0.00  0.00    -0.127 NA
ATOM      9  C   LIG    1        2.712   0.086   0.749  0.00  0.00    +0.205 A 
ATOM     10  N   LIG    1        2.113   1.225   1.238  0.00  0.00    -0.108 NA
ATOM     11  N   LIG    1        3.063   1.945   1.817  0.00  0.00    -0.043 NA
BRANCH   7  12
ATOM     12  C   LIG    1        5.453   1.666   2.214  0.00  0.00    +0.400 C 
BRANCH  12  13
ATOM     13  O   LIG    1        6.573   1.089   1.524  0.00  0.00    -0.440 OA
BRANCH  13  15
ATOM     14  C   LIG    1        7.960   0.958  -0.361  0.00  0.00    +0.136 C 
ATOM     15  C   LIG    1        6.841   1.675   0.329  0.00  0.00    +0.306 C 
ATOM     16  O   LIG    1        6.262   2.653  -0.117  0.00  0.00    -0.251 OA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -1.513  -1.744  -1.108  0.00  0.00    +0.107 A 
ATOM     18  N   LIG    1       -2.323  -2.836  -1.348  0.00  0.00    -0.234 NA
ATOM     19  C   LIG    1       -3.529  -2.353  -1.538  0.00  0.00    +0.200 A 
ATOM     20  N   LIG    1       -3.544  -0.993  -1.429  0.00  0.00    -0.332 N 
ATOM     21  C   LIG    1       -2.262  -0.584  -1.169  0.00  0.00    +0.117 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.696  -0.134  -1.641  0.00  0.00    +0.159 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.266   0.369  -0.338  0.00  0.00    -0.009 A 
ATOM     24  C   LIG    1       -6.240  -0.334   0.389  0.00  0.00    +0.046 A 
ATOM     25 CL   LIG    1       -6.905  -1.825  -0.174  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -6.720   0.165   1.605  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -6.235   1.369   2.112  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.269   2.078   1.406  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.787   1.583   0.192  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   3  17
TORSDOF 7