REMARK  Name = BDB001797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.182   2.428   0.653  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        0.664   1.346   0.447  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        2.066   1.292   0.545  0.00  0.00    +0.283 C 
ATOM      4  O   LIG    1        2.639   2.301   0.962  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1       -0.072   0.237   0.179  0.00  0.00    -0.141 NA
ATOM      6  C   LIG    1       -1.330   0.696   0.249  0.00  0.00    +0.184 A 
ATOM      7  N   LIG    1       -1.425   2.034   0.543  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -2.512  -0.136   0.034  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -3.795   0.427   0.102  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -4.933  -0.361  -0.102  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -4.793  -1.720  -0.375  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -6.190  -2.691  -0.626  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -3.527  -2.297  -0.446  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1       -2.390  -1.508  -0.242  0.00  0.00    +0.013 A 
ENDBRANCH   6   8
BRANCH   3  15
ATOM     15  C   LIG    1        2.903   0.111   0.218  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        2.539  -0.842  -0.725  0.00  0.00    +0.124 A 
ATOM     17  N   LIG    1        3.307  -1.913  -1.051  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1        4.492  -2.036  -0.415  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        4.952  -1.133   0.528  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.146  -0.041   0.843  0.00  0.00    +0.016 A 
ENDBRANCH   3  15
BRANCH   1  21
ATOM     21  N   LIG    1        0.236   3.681   0.915  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1       -0.437   4.325   1.317  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        1.198   3.826   1.231  0.00  0.00    +0.145 HD
ENDBRANCH   1  21
TORSDOF 3