REMARK  Name = BDB040558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.460  -0.342  -2.316  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.857  -0.304  -1.593  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.279   0.851  -0.930  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.493   0.876  -0.229  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.904   2.393   0.502  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.322  -0.264  -0.150  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.882  -1.419  -0.832  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.808  -2.883  -0.882  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.668  -1.438  -1.532  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.643  -0.268   0.618  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.512   0.203   2.064  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -3.541  -0.057   2.772  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -5.590   0.877   2.587  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -5.497   1.171   3.550  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.844   1.004   2.046  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.772   1.472   2.700  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.035   0.457   0.653  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.737   0.496  -0.137  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.745  -1.159  -1.969  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.494  -0.871  -1.462  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.417  -0.704  -0.462  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.995  -1.080  -3.170  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.298  -2.795  -0.146  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        3.802  -1.555  -0.917  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        5.117  -1.963  -1.615  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.038  -0.358   0.000  0.00  0.00    +0.074 A 
ATOM     27  N   LIG    1        3.594  -0.432   1.281  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1        3.777   0.670   2.051  0.00  0.00    +0.136 A 
ATOM     29  CA  LIG    1        4.365   1.835   1.578  0.00  0.00    +0.085 A 
ATOM     30  N   LIG    1        4.804   1.920   0.296  0.00  0.00    -0.254 NA
ATOM     31  C   LIG    1        4.621   0.818  -0.472  0.00  0.00    +0.135 A 
BRANCH  29  32
ATOM     32  C   LIG    1        4.594   3.018   2.478  0.00  0.00    +0.212 C 
BRANCH  32  33
ATOM     33  O   LIG    1        3.537   3.175   3.421  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1        3.691   4.025   3.868  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 7