REMARK  Name = BDB006681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.454  -0.502  -0.543  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.720  -0.384   0.393  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.800  -0.943  -0.438  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -3.150  -1.276  -0.461  0.00  0.00    +0.072 A 
ATOM      5  N   LIG    1       -3.508  -1.806  -1.643  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -2.357  -1.809  -2.369  0.00  0.00    -0.262 N 
ATOM      7  C   LIG    1       -2.358  -2.323  -3.715  0.00  0.00    +0.173 C 
ATOM      8  C   LIG    1       -1.328  -1.304  -1.662  0.00  0.00    +0.129 A 
ATOM      9  C   LIG    1        0.059  -1.052  -1.803  0.00  0.00    +0.270 C 
ATOM     10  O   LIG    1        0.729  -1.282  -2.795  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        3.520   1.094   3.031  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.300   0.643   1.610  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.369   0.570   0.663  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        4.076   0.144  -0.618  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        5.280   0.174  -1.289  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1        6.225   0.589  -0.469  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        5.452  -0.206  -2.709  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1        2.801  -0.216  -1.040  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1        1.759  -0.161  -0.185  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1        5.653   0.837   0.756  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1        2.062   0.286   1.187  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1       -1.144   1.033   0.730  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -1.678   1.305   2.003  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -2.083   2.596   2.350  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.962   3.631   1.426  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -2.462   5.221   1.853  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -1.440   3.386   0.160  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -1.035   2.094  -0.188  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   4  29
ATOM     29  C   LIG    1       -4.143  -1.061   0.706  0.00  0.00    +0.040 C 
ATOM     30  C   LIG    1       -5.072  -2.182   1.095  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -3.936  -1.806   2.000  0.00  0.00    +0.010 C 
ENDBRANCH   4  29
TORSDOF 3