REMARK  Name = BDB017347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.062   0.197   0.438  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   7
ATOM      2  O   LIG    1        3.980   0.592   2.521  0.00  0.00    -0.265 OA
ATOM      3  C   LIG    1        3.817   0.254   1.351  0.00  0.00    +0.278 A 
ATOM      4  C   LIG    1        2.522   0.158   0.674  0.00  0.00    +0.158 A 
ATOM      5  C   LIG    1        2.422  -0.225  -0.683  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        1.078  -0.239  -0.948  0.00  0.00    +0.119 A 
ATOM      7  N   LIG    1        0.434   0.183   0.210  0.00  0.00    -0.251 N 
ATOM      8  C   LIG    1        3.589  -0.555  -1.475  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        4.823  -0.465  -0.797  0.00  0.00    +0.143 A 
ATOM     10  N   LIG    1        6.019  -0.732  -1.361  0.00  0.00    -0.237 NA
ATOM     11  C   LIG    1        6.018  -1.108  -2.654  0.00  0.00    +0.114 A 
ATOM     12  C   LIG    1        4.870  -1.225  -3.413  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        3.640  -0.943  -2.816  0.00  0.00    +0.054 A 
ATOM     14 CL   LIG    1        2.254  -1.098  -3.834  0.00  0.00    -0.083 Cl
ATOM     15  N   LIG    1        1.324   0.387   1.224  0.00  0.00    -0.164 NA
ATOM     16  N   LIG    1        4.892  -0.073   0.550  0.00  0.00    -0.305 N 
ATOM     17  H   LIG    1        5.811  -0.030   0.965  0.00  0.00    +0.170 HD
ENDBRANCH   1   7
BRANCH   1  18
ATOM     18  C   LIG    1       -1.493   1.054   1.689  0.00  0.00    -0.011 A 
ATOM     19  C   LIG    1       -2.660   0.734   2.420  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -3.095   1.526   3.486  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.392   2.674   3.835  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -1.264   3.038   3.108  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -0.829   2.247   2.040  0.00  0.00    +0.006 A 
ENDBRANCH   1  18
BRANCH   1  24
ATOM     24  C   LIG    1       -1.802   0.897  -0.765  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1       -3.166   0.635  -1.026  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -3.851   1.287  -2.054  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.203   2.244  -2.827  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -1.876   2.564  -2.559  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.189   1.913  -1.530  0.00  0.00    +0.006 A 
ENDBRANCH   1  24
BRANCH   1  30
ATOM     30  C   LIG    1       -1.382  -1.337   0.602  0.00  0.00    -0.011 A 
ATOM     31  C   LIG    1       -1.118  -1.986   1.829  0.00  0.00    +0.006 A 
ATOM     32  C   LIG    1       -1.335  -3.356   1.992  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.791  -4.120   0.924  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.010  -3.519  -0.312  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -1.792  -2.148  -0.476  0.00  0.00    +0.006 A 
ENDBRANCH   1  30
TORSDOF 4