REMARK  Name = BDB046414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.732   0.903  -0.697  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        1.992   0.356  -0.987  0.00  0.00    +0.174 A 
ATOM      3  C   LIG    1        2.520  -0.787  -0.415  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        3.796  -0.920  -1.021  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1        4.026   0.066  -1.898  0.00  0.00    -0.082 NA
ATOM      6  C   LIG    1        1.770  -1.473   0.550  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        0.502  -0.977   0.881  0.00  0.00    +0.084 A 
ATOM      8 CL   LIG    1       -0.360  -1.808   2.126  0.00  0.00    -0.080 Cl
ATOM      9  O   LIG    1        2.898   0.866  -1.867  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1       -0.025   0.164   0.244  0.00  0.00    +0.147 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        4.828  -1.968  -0.787  0.00  0.00    +0.056 C 
ATOM     12  C   LIG    1        5.739  -1.631   0.383  0.00  0.00    +0.010 C 
ENDBRANCH   4  11
BRANCH   1  13
ATOM     13  C   LIG    1        0.271   2.197  -1.311  0.00  0.00    +0.042 C 
BRANCH  13  15
ATOM     14  C   LIG    1        1.658   3.789   0.116  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        0.264   3.380  -0.338  0.00  0.00    +0.001 C 
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH  10  16
ATOM     16  O   LIG    1       -1.271   0.628   0.609  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.314   0.154  -0.268  0.00  0.00    +0.311 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.201  -0.837   0.470  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -3.523  -2.072  -0.113  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -4.349  -2.977   0.555  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.864  -2.658   1.810  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.557  -1.433   2.399  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.733  -0.525   1.733  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
BRANCH  17  24
ATOM     24  C   LIG    1       -3.155   1.343  -0.759  0.00  0.00    +0.351 C 
ATOM     25  O   LIG    1       -3.109   2.501  -0.371  0.00  0.00    -0.246 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -4.009   1.012  -1.756  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1       -4.491   1.846  -1.938  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  17  24
ENDBRANCH  16  17
ENDBRANCH  10  16
TORSDOF 8