REMARK  Name = BDB008401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.575  -0.743   1.725  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -0.786  -0.577   1.377  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1       -1.775  -0.738   2.350  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -1.419  -1.070   3.659  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -0.078  -1.238   3.995  0.00  0.00    +0.043 A 
ATOM      6 CL   LIG    1        0.343  -1.649   5.613  0.00  0.00    -0.083 Cl
ATOM      7  C   LIG    1        0.921  -1.077   3.037  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        3.548  -0.808   1.767  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.894  -0.616   0.750  0.00  0.00    +0.251 C 
ATOM     10  N   LIG    1        1.515  -0.563   0.685  0.00  0.00    -0.278 N 
ATOM     11  H   LIG    1        1.087  -0.308  -0.199  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1        3.539  -0.423  -0.550  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        4.758   0.309  -0.771  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        5.145   0.296  -2.109  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        6.304   0.964  -2.480  0.00  0.00    +0.129 A 
ATOM     16  N   LIG    1        7.025   1.611  -1.544  0.00  0.00    -0.243 NA
ATOM     17  C   LIG    1        6.576   1.577  -0.280  0.00  0.00    +0.221 A 
ATOM     18  S   LIG    1        4.046  -0.587  -3.079  0.00  0.00    -0.093 S 
ATOM     19  N   LIG    1        5.475   0.972   0.172  0.00  0.00    -0.234 NA
ATOM     20  C   LIG    1        3.063  -0.960  -1.736  0.00  0.00    +0.061 A 
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   2  21
ATOM     21  O   LIG    1       -1.009  -0.249   0.060  0.00  0.00    -0.487 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.353  -0.161  -0.430  0.00  0.00    +0.174 C 
ATOM     23  C   LIG    1       -2.296  -0.465  -1.937  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1       -3.429   0.180  -2.744  0.00  0.00    +0.035 C 
ATOM     25  C   LIG    1       -4.664   0.472  -1.900  0.00  0.00    +0.115 C 
ATOM     26  C   LIG    1       -4.342   1.401  -0.726  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1       -2.912   1.245  -0.200  0.00  0.00    +0.047 C 
BRANCH  25  28
ATOM     28  O   LIG    1       -5.165  -0.766  -1.398  0.00  0.00    -0.392 OA
ATOM     29  H   LIG    1       -6.047  -0.594  -1.025  0.00  0.00    +0.210 HD
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 5