REMARK  Name = BDB040478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.552   0.600   1.133  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.051  -0.692   1.320  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.319  -1.049   0.843  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -2.824  -2.672   1.180  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.132  -0.130   0.146  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.618   1.175  -0.020  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -3.501   2.444  -0.803  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.347   1.528   0.459  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.501  -0.547  -0.387  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.690  -0.255  -1.874  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.785  -0.358  -2.700  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.966   0.057  -2.278  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.083   0.235  -3.267  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.126  -0.042  -1.552  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.222   0.102  -2.086  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.981  -0.423  -0.099  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.641   0.031   0.459  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.827   0.963   1.609  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        3.167   0.584   0.980  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.822   0.515   0.663  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.541   0.410  -0.302  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        3.528   0.969   2.090  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.734  -1.189  -0.750  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        4.148   0.179  -0.162  0.00  0.00    +0.067 C 
ATOM     25  C   LIG    1        4.029   1.241  -1.275  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        5.587   0.067   0.380  0.00  0.00    -0.026 A 
ATOM     27  C   LIG    1        5.968  -0.785   1.408  0.00  0.00    +0.049 A 
ATOM     28  S   LIG    1        7.635  -0.711   1.775  0.00  0.00    -0.105 S 
ATOM     29  C   LIG    1        7.897   0.469   0.573  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        6.737   0.793  -0.095  0.00  0.00    +0.012 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5