REMARK  Name = BDB052209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.331  -1.595  -2.150  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1        0.535  -1.438  -0.772  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -0.556  -1.060  -0.006  0.00  0.00    +0.152 A 
ATOM      4  O   LIG    1       -0.568  -0.888   1.361  0.00  0.00    -0.458 OA
ATOM      5  C   LIG    1       -1.829  -0.408   1.701  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -2.785  -0.461   0.521  0.00  0.00    +0.117 C 
ATOM      7  C   LIG    1       -3.856  -1.544   0.687  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1       -3.417   0.926   0.455  0.00  0.00    +0.169 C 
ATOM      9  O   LIG    1       -3.555   1.557  -0.595  0.00  0.00    -0.295 OA
ATOM     10  C   LIG    1       -3.979   1.476   1.755  0.00  0.00    +0.192 C 
ATOM     11  C   LIG    1       -3.373   0.870   3.005  0.00  0.00    +0.177 C 
ATOM     12  O   LIG    1       -3.893   0.994   4.111  0.00  0.00    -0.291 OA
ATOM     13  C   LIG    1       -2.086   0.154   2.885  0.00  0.00    +0.090 C 
ATOM     14  C   LIG    1       -1.816  -0.817  -0.569  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -2.007  -0.976  -1.927  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1       -0.929  -1.348  -2.729  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1        1.853  -1.693  -0.151  0.00  0.00    +0.251 C 
ATOM     18  N   LIG    1        2.304  -0.713   0.705  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        1.789   0.154   0.776  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        2.474  -2.717  -0.411  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.635  -0.747   1.265  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.556   0.172   0.502  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        4.891   1.437   1.007  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        5.729   2.288   0.282  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.232   1.881  -0.952  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        7.263   2.931  -1.843  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        5.903   0.630  -1.470  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.066  -0.220  -0.746  0.00  0.00    +0.006 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   2  17
BRANCH  10  29
ATOM     29  C   LIG    1       -3.833   2.978   1.800  0.00  0.00    +0.148 C 
ATOM     30  O   LIG    1       -2.763   3.509   2.103  0.00  0.00    -0.296 OA
ATOM     31  C   LIG    1       -5.038   3.799   1.426  0.00  0.00    +0.087 C 
ENDBRANCH  10  29
BRANCH   1  33
ATOM     32  C   LIG    1        1.363  -3.274  -3.340  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        1.377  -1.889  -2.987  0.00  0.00    -0.494 OA
ENDBRANCH   1  33
BRANCH  15  34
ATOM     34  O   LIG    1       -3.247  -0.789  -2.449  0.00  0.00    -0.506 OA
ATOM     35  H   LIG    1       -3.173  -0.692  -3.414  0.00  0.00    +0.292 HD
ENDBRANCH  15  34
TORSDOF 6