REMARK  Name = BDB009106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.593   0.597  -1.156  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.600   1.332  -0.492  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.466   1.918  -1.194  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.510   1.787  -2.586  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.474   1.060  -3.254  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.519   0.465  -2.542  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.962  -1.028  -1.933  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.701  -0.705  -0.779  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        2.613   0.035  -0.360  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        2.545   0.229   0.632  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.605  -1.206   0.296  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1        4.960  -0.487   1.447  0.00  0.00    +0.053 A 
ATOM     13 CL   LIG    1        4.421   1.123   1.770  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        5.817  -1.062   2.395  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        6.330  -2.345   2.200  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        5.991  -3.054   1.052  0.00  0.00    +0.019 A 
ATOM     17 BR   LIG    1        6.690  -4.789   0.780  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1        5.139  -2.494   0.102  0.00  0.00    +0.029 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -1.527   2.712  -0.467  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.147   1.962   0.709  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.110   0.843   0.453  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.518   0.477  -0.947  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.745  -0.439  -0.999  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.645  -1.550   0.039  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.528  -0.972   1.450  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.584   0.196   1.532  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.176   0.621   2.894  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -3.600   0.063   3.901  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -2.303   1.673   2.957  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -2.016   1.982   3.880  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -1.778   2.341   1.897  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4