REMARK  Name = BDB040403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.525   1.498   0.442  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.265   0.846   1.432  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.541   0.336   1.159  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.358  -0.413   2.491  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.121   0.448  -0.122  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.367   1.125  -1.106  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        2.950   1.407  -2.713  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.088   1.632  -0.828  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.505  -0.133  -0.404  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        4.546  -1.057  -1.619  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        3.628  -1.817  -1.919  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        5.717  -1.068  -2.339  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        5.738  -1.694  -3.132  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.918  -0.499  -2.000  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        7.935  -0.731  -2.647  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.935   0.344  -0.749  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.572   0.965  -0.484  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.863   2.002   0.735  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.295   0.290   1.804  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.811   0.917   0.673  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.102   0.582  -0.236  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.984   0.653   2.937  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -3.779  -1.461   2.861  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -3.212  -0.930   1.528  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -2.302  -2.032   0.941  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.392  -0.535   0.619  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -5.182   0.583   0.954  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.256   0.977   0.153  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.568   0.258  -0.996  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.808  -0.855  -1.341  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.732  -1.250  -0.541  0.00  0.00    +0.004 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5