REMARK  Name = BDB062418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.983  -1.677  -1.007  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.315  -1.216  -1.279  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.556   0.143  -1.514  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.510   1.051  -1.504  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.813   0.616  -1.234  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -2.034  -0.746  -0.975  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -0.905  -3.760  -3.172  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -1.191  -4.092  -1.734  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.236  -3.099  -0.741  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -1.546  -3.515   0.564  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -1.779  -4.858   0.840  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.695  -5.760  -0.203  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1       -1.405  -5.410  -1.473  0.00  0.00    -0.260 NA
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        1.922   0.668  -1.790  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        2.972  -0.032  -1.235  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        2.778  -0.728  -0.529  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.063   1.694  -2.446  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.327   0.463  -1.312  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.686   1.229  -0.065  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1        5.372   0.607   0.988  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        5.671   1.322   2.150  0.00  0.00    +0.043 A 
ATOM     22 CL   LIG    1        6.514   0.542   3.432  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        5.290   2.654   2.285  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        4.602   3.272   1.245  0.00  0.00    +0.043 A 
ATOM     25 CL   LIG    1        4.113   4.915   1.404  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        4.298   2.571   0.077  0.00  0.00    +0.025 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1       -2.957   1.600  -1.173  0.00  0.00    +0.161 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.183   2.077   0.167  0.00  0.00    -0.295 N 
ATOM     29  C   LIG    1       -4.070   1.472   1.086  0.00  0.00    +0.329 A 
ATOM     30  O   LIG    1       -4.790   0.505   0.907  0.00  0.00    -0.246 OA
ATOM     31  N   LIG    1       -3.919   2.245   2.260  0.00  0.00    -0.302 N 
ATOM     32  C   LIG    1       -4.615   2.015   3.494  0.00  0.00    +0.153 C 
ATOM     33  C   LIG    1       -2.982   3.231   2.040  0.00  0.00    +0.108 A 
ATOM     34  C   LIG    1       -2.535   3.127   0.781  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6