REMARK  Name = BDB061971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.698  -0.896   0.298  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1        0.173   0.049  -0.101  0.00  0.00    +0.116 A 
ATOM      3  N   LIG    1        1.539  -0.222  -0.085  0.00  0.00    -0.304 N 
ATOM      4  C   LIG    1        2.081  -1.431   0.324  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        3.393  -1.424   0.239  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1        3.729  -0.172  -0.238  0.00  0.00    +0.090 A 
ATOM      7  C   LIG    1        1.170  -2.436   0.748  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        2.592   0.583  -0.443  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -0.154  -2.185   0.737  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        5.105   0.242  -0.475  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        6.149  -0.657  -0.210  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        7.482  -0.294  -0.425  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        7.788   0.975  -0.909  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.764   1.880  -1.177  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.430   1.517  -0.962  0.00  0.00    +0.010 A 
ENDBRANCH   6  10
BRANCH   1  18
ATOM     16  O   LIG    1       -2.385   1.423  -0.391  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -2.824   0.348   0.006  0.00  0.00    +0.250 C 
ATOM     18  N   LIG    1       -2.069  -0.764   0.331  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1       -2.579  -1.573   0.667  0.00  0.00    +0.155 HD
BRANCH  17  20
ATOM     20  C   LIG    1       -4.307   0.201   0.098  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1       -4.981  -0.552   1.072  0.00  0.00    +0.053 A 
ATOM     22 CL   LIG    1       -4.180  -1.411   2.340  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -6.383  -0.612   1.067  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -7.123   0.078   0.104  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1       -6.455   0.839  -0.860  0.00  0.00    +0.127 A 
ATOM     26  C   LIG    1       -5.056   0.906  -0.866  0.00  0.00    +0.047 A 
BRANCH  25  27
ATOM     27  N   LIG    1       -7.227   1.569  -1.875  0.00  0.00    +0.056 N 
ATOM     28  O   LIG    1       -8.460   1.584  -1.753  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1       -6.600   2.115  -2.791  0.00  0.00    -0.126 OA
ENDBRANCH  25  27
ENDBRANCH  17  20
ENDBRANCH   1  18
TORSDOF 4