REMARK  Name = BDB053119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.695   2.083  -0.420  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -1.671   1.200  -1.033  0.00  0.00    +0.189 C 
ATOM      3  C   LIG    1       -2.931   1.542  -0.280  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -2.652   2.502   0.692  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -3.616   3.010   1.543  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -4.916   2.523   1.400  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.217   1.558   0.421  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -4.224   1.062  -0.430  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -1.230   2.844   0.601  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -0.674   3.667   1.301  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -1.315  -0.280  -0.962  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.186  -1.058  -2.127  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.838  -2.411  -2.056  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.616  -3.005  -0.817  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -0.170  -4.664  -0.732  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -0.748  -2.263   0.352  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.099  -0.912   0.280  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   2  18
ATOM     18  O   LIG    1       -1.829   1.646  -2.370  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -1.984   2.602  -2.296  0.00  0.00    +0.213 HD
ENDBRANCH   2  18
BRANCH   1  20
ATOM     20  C   LIG    1        0.688   2.178  -0.854  0.00  0.00    +0.146 C 
BRANCH  20  24
ATOM     21  C   LIG    1        3.212  -0.810   0.997  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        2.957  -0.855  -0.379  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        2.155   0.121  -0.978  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        1.590   1.151  -0.212  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        1.863   1.201   1.162  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        2.666   0.228   1.762  0.00  0.00    +0.015 A 
BRANCH  21  27
ATOM     27  C   LIG    1        4.043  -1.832   1.689  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1        4.259  -1.826   2.891  0.00  0.00    -0.245 OA
BRANCH  27  30
ATOM     29  C   LIG    1        5.309  -3.773   1.400  0.00  0.00    +0.280 C 
ATOM     30  O   LIG    1        4.510  -2.750   0.805  0.00  0.00    -0.464 OA
ENDBRANCH  27  30
ENDBRANCH  21  27
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 6