REMARK  Name = BDB004466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.253  -1.175  -1.564  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.095  -1.325  -1.219  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        1.396  -0.644  -0.233  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1        0.060  -1.234  -0.009  0.00  0.00    +0.193 C 
ATOM      5  C   LIG    1        0.030  -2.351  -1.035  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -0.954  -3.272  -1.357  0.00  0.00    +0.050 A 
ATOM      7 CL   LIG    1       -2.470  -3.329  -0.547  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -0.712  -4.195  -2.386  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        0.505  -4.191  -3.089  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.492  -3.262  -2.772  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        1.220  -2.361  -1.756  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -0.135  -1.769   1.417  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        0.763  -2.713   1.961  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        0.596  -3.204   3.259  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.472  -2.763   4.034  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.677  -3.365   5.632  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -1.375  -1.837   3.521  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -1.208  -1.345   2.223  0.00  0.00    +0.010 A 
ENDBRANCH   4  12
BRANCH   3  19
ATOM     19  C   LIG    1        2.122   0.155   0.754  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.228   1.629   0.424  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.757   2.072  -0.797  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        2.840   3.436  -1.087  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        2.407   4.370  -0.150  0.00  0.00    +0.018 A 
ATOM     24 BR   LIG    1        2.507   6.215  -0.545  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1        1.903   3.953   1.079  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        1.821   2.589   1.367  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
BRANCH   4  27
ATOM     27  O   LIG    1       -1.005  -0.393  -0.457  0.00  0.00    -0.347 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -0.863   1.008  -0.315  0.00  0.00    +0.172 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.151   1.734  -0.669  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -3.011   1.192  -1.798  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -3.488   1.072  -0.376  0.00  0.00    +0.012 C 
BRANCH  29  32
ATOM     32  C   LIG    1       -2.012   3.237  -0.522  0.00  0.00    +0.165 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -3.238   3.906  -0.793  0.00  0.00    -0.394 OA
ATOM     34  H   LIG    1       -3.054   4.859  -0.746  0.00  0.00    +0.209 HD
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 8