REMARK  Name = BDB040518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.057   1.926  -1.544  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.395   1.635  -0.918  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.808   2.298   0.238  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.044   2.002   0.832  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        3.411   2.875   2.284  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.913   1.033   0.288  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.464   0.350  -0.863  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        4.370  -0.919  -1.619  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.228   0.649  -1.453  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.261   0.739   0.944  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.441   0.809  -0.023  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        6.522   1.640  -0.926  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.480  -0.058   0.215  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        8.261   0.010  -0.423  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.693  -0.821   1.335  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        8.762  -1.397   1.515  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        6.589  -0.832   2.363  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.234  -0.583   1.721  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.342  -0.119  -1.668  0.00  0.00    +0.236 C 
ATOM     20  N   LIG    1       -0.947   1.038  -1.020  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.420   1.260  -0.150  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -0.897  -0.450  -2.764  0.00  0.00    -0.273 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -1.566  -1.495   0.361  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -2.371  -0.971  -0.846  0.00  0.00    +0.105 C 
ATOM     25  C   LIG    1       -2.861  -2.145  -1.704  0.00  0.00    +0.041 C 
BRANCH  24  26
ATOM     26  N   LIG    1       -3.500  -0.081  -0.418  0.00  0.00    -0.316 N 
ATOM     27  C   LIG    1       -4.607  -0.510   0.335  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1       -5.736   0.296   0.121  0.00  0.00    -0.025 A 
ATOM     29  C   LIG    1       -6.944   0.099   0.778  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -7.034  -0.954   1.681  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.923  -1.771   1.915  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -5.410   1.371  -0.855  0.00  0.00    +0.056 C 
ATOM     33  C   LIG    1       -4.709  -1.544   1.249  0.00  0.00    +0.023 A 
ATOM     34  C   LIG    1       -4.118   0.800  -1.448  0.00  0.00    +0.111 C 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5