REMARK  Name = BDB004435
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.359  -1.256   2.577  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.409  -1.384   1.828  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        1.282  -0.957   0.522  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.049  -1.224  -0.042  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.683  -2.038   1.076  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -1.889  -2.728   1.126  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.225  -3.412   2.301  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.356  -3.417   3.406  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.133  -2.751   3.347  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.172  -2.082   2.175  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.088  -1.989  -1.370  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.529  -3.329  -1.389  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.678  -4.025  -2.593  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.404  -3.389  -3.799  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        0.588  -4.242  -5.280  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -0.011  -2.061  -3.812  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -0.161  -1.365  -2.608  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1        2.298  -0.157  -0.138  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.099   1.332   0.038  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        2.366   1.943   1.274  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        2.159   3.312   1.453  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        1.679   4.079   0.386  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        1.412   3.487  -0.855  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        1.626   2.118  -1.024  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  N   LIG    1        1.434   5.512   0.572  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        1.882   6.047   1.596  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        0.787   6.103  -0.305  0.00  0.00    -0.126 OA
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  28
ATOM     28  O   LIG    1       -0.644   0.064  -0.211  0.00  0.00    -0.343 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -2.060   0.131  -0.257  0.00  0.00    +0.190 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.416   1.489  -0.779  0.00  0.00    -0.001 C 
ATOM     31  C   LIG    1       -2.419   2.648  -0.096  0.00  0.00    -0.002 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -2.018   2.927   1.323  0.00  0.00    +0.183 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -1.295   1.865   1.914  0.00  0.00    -0.391 OA
ATOM     34  H   LIG    1       -0.603   1.604   1.275  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 9