REMARK  Name = BDB040565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.668  -2.302   0.513  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.049  -1.569   1.640  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.139  -0.691   1.594  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        2.468   0.188   3.050  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        2.896  -0.517   0.415  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.479  -1.242  -0.722  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        3.237  -1.083  -2.272  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.387  -2.121  -0.670  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.088   0.438   0.391  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        5.367  -0.187  -0.161  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        5.687  -1.357   0.041  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.213   0.654  -0.844  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        7.063   0.232  -1.192  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.149   2.021  -0.932  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        7.065   2.668  -1.431  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.943   2.680  -0.309  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        3.740   1.751  -0.320  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.537  -3.204   0.558  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.508  -1.844   1.144  0.00  0.00    +0.219 C 
ATOM     20  N   LIG    1       -1.726  -2.467   0.195  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1       -1.839  -2.222  -0.778  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.308  -1.990   2.348  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -4.495  -0.451   1.767  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1       -3.623  -0.926   0.586  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -4.528  -1.754  -0.350  0.00  0.00    +0.021 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -2.971   0.248  -0.201  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -2.035   1.153   0.609  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -1.795   2.346  -0.311  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -3.035   2.446  -1.200  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -3.932   1.271  -0.815  0.00  0.00    +0.004 C 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5