REMARK  Name = BDB013693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.529   0.397   0.895  0.00  0.00    +0.093 C 
ATOM      2  C   LIG    1        0.230  -1.112   0.668  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1        0.813  -1.630  -0.646  0.00  0.00    +0.042 C 
ATOM      4  C   LIG    1        2.313  -1.357  -0.703  0.00  0.00    +0.107 C 
ATOM      5  N   LIG    1        2.568   0.083  -0.506  0.00  0.00    -0.328 N 
ATOM      6  C   LIG    1        2.061   0.621   0.771  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.851   0.481  -0.917  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        4.195   0.383  -2.278  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        5.454   0.770  -2.749  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        6.395   1.271  -1.858  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        7.946   1.749  -2.426  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        6.083   1.391  -0.508  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        4.819   1.002  -0.046  0.00  0.00    +0.024 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     14  C   LIG    1        0.615   0.535   3.381  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1       -0.114   0.878   2.163  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -0.356   2.322   2.106  0.00  0.00    +0.105 C 
ENDBRANCH   1  15
BRANCH   2  17
ATOM     17  N   LIG    1       -1.207  -1.412   0.836  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1       -1.445  -1.185   1.801  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.203  -0.972  -0.028  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1       -3.622  -1.163   0.387  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -4.617  -0.622  -0.417  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1       -5.967  -0.754  -0.060  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1       -6.317  -1.444   1.101  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.323  -2.009   1.898  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.246   0.069  -1.662  0.00  0.00    +0.275 A 
ATOM     26  O   LIG    1       -5.124   0.586  -2.349  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -2.896   0.070  -1.982  0.00  0.00    -0.230 N 
ATOM     28  C   LIG    1       -2.438   0.741  -3.183  0.00  0.00    +0.176 C 
ATOM     29  C   LIG    1       -3.978  -1.873   1.542  0.00  0.00    +0.012 A 
ATOM     30  N   LIG    1       -1.909  -0.402  -1.160  0.00  0.00    -0.153 NA
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 4