REMARK  Name = BDB050417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.348   0.781   0.421  0.00  0.00    +0.126 C 
ATOM      2  N   LIG    1        0.434   0.466  -0.662  0.00  0.00    -0.320 N 
ATOM      3  H   LIG    1       -0.019  -0.009  -1.438  0.00  0.00    +0.148 HD
ATOM      4  C   LIG    1        1.697  -0.048  -0.177  0.00  0.00    +0.131 C 
ATOM      5  C   LIG    1        1.714   0.560   1.254  0.00  0.00    +0.162 C 
ATOM      6  N   LIG    1        0.273   0.868   1.574  0.00  0.00    -0.258 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.848   0.374  -1.060  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1        2.936   1.674  -1.589  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        4.022   2.051  -2.383  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        5.032   1.132  -2.654  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        6.370   1.594  -3.631  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        4.967  -0.159  -2.136  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        3.881  -0.536  -1.340  0.00  0.00    +0.007 A 
ENDBRANCH   4   7
BRANCH   5  14
ATOM     14  C   LIG    1        2.365  -0.368   2.263  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1        1.615  -1.307   2.988  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        2.237  -2.170   3.893  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.616  -2.103   4.076  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        4.384  -3.166   5.189  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        4.378  -1.180   3.363  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.755  -0.317   2.459  0.00  0.00    +0.007 A 
ENDBRANCH   5  14
BRANCH   1  24
ATOM     21  C   LIG    1       -4.572   1.525   0.179  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -3.943   0.774  -0.819  0.00  0.00    +0.092 A 
ATOM     23  C   LIG    1       -2.576   0.482  -0.743  0.00  0.00    +0.135 A 
ATOM     24  C   LIG    1       -1.813   0.998   0.313  0.00  0.00    +0.056 A 
ATOM     25  C   LIG    1       -2.448   1.739   1.319  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1       -3.821   1.999   1.254  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -6.593   2.507   0.956  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -5.912   1.721  -0.014  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
BRANCH  23  29
ATOM     29  O   LIG    1       -1.968  -0.262  -1.725  0.00  0.00    -0.489 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -2.544  -1.568  -1.908  0.00  0.00    +0.167 C 
ATOM     31  C   LIG    1       -1.477  -2.597  -1.546  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -2.947  -1.702  -3.372  0.00  0.00    +0.051 C 
ENDBRANCH  29  30
ENDBRANCH  23  29
ENDBRANCH   1  24
TORSDOF 6