REMARK  Name = BDB055091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.107   1.398   0.606  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -2.393   0.970   0.266  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -3.521   1.768   0.353  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1       -4.643   1.092  -0.040  0.00  0.00    -0.207 NA
ATOM      5  C   LIG    1       -4.226  -0.112  -0.375  0.00  0.00    +0.159 A 
ATOM      6  N   LIG    1       -3.491   3.048   0.776  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -2.251   3.483   1.105  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1       -2.870  -0.225  -0.205  0.00  0.00    -0.334 N 
ATOM      9  H   LIG    1       -2.303  -1.037  -0.394  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1       -1.071   2.737   1.043  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1        0.396   3.520   1.515  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        2.728  -0.560   0.638  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1        1.615  -1.017   1.503  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        0.497   0.019   1.766  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1       -0.051   0.504   0.486  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1        0.964   0.835  -0.541  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1        2.411   0.741  -0.003  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1        3.994  -0.488   1.395  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1        7.700  -0.764  -2.120  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        6.730  -0.475  -1.051  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1        6.884   0.709  -0.400  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1        5.902   0.837   0.567  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1        5.163  -0.279   0.484  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        5.652  -1.142  -0.526  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1       -5.060  -1.167  -0.854  0.00  0.00    +0.104 A 
ATOM     26  N   LIG    1       -6.423  -1.073  -1.026  0.00  0.00    -0.264 N 
ATOM     27  C   LIG    1       -7.274   0.068  -0.772  0.00  0.00    +0.173 C 
ATOM     28  N   LIG    1       -6.983  -2.214  -1.490  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1       -5.952  -3.047  -1.616  0.00  0.00    +0.135 A 
ATOM     30  C   LIG    1       -4.735  -2.454  -1.237  0.00  0.00    +0.052 A 
ENDBRANCH   5  25
TORSDOF 4