REMARK  Name = BDB054645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.308  -0.752  -0.389  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -0.899   0.395   0.214  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -2.124   0.122   0.683  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -2.382  -1.155   0.315  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -1.307  -1.708  -0.334  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.352   1.742   0.365  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        0.196   2.419  -0.732  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        0.752   3.690  -0.570  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        0.753   4.296   0.686  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        0.193   3.637   1.780  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -0.361   2.365   1.620  0.00  0.00    +0.010 A 
ENDBRANCH   2   6
BRANCH   4  12
ATOM     12  C   LIG    1       -3.633  -1.764   0.616  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -4.613  -1.026   1.298  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -5.846  -1.604   1.604  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.111  -2.920   1.233  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.144  -3.660   0.554  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.907  -3.088   0.244  0.00  0.00    +0.028 A 
ENDBRANCH   4  12
BRANCH   1  19
ATOM     18  O   LIG    1        1.148  -1.848  -1.841  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1        1.007  -0.987  -0.980  0.00  0.00    +0.252 C 
ATOM     20  N   LIG    1        2.018  -0.208  -0.451  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        1.772   0.393   0.325  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.372  -0.164  -0.841  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        3.916  -0.923  -1.879  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        5.273  -0.812  -2.205  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        6.090   0.062  -1.494  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        7.756   0.199  -1.896  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        5.562   0.828  -0.459  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        4.207   0.715  -0.135  0.00  0.00    +0.025 A 
ENDBRANCH  20  22
ENDBRANCH   1  19
TORSDOF 4