REMARK  Name = BDB006627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.243  -0.211  -0.774  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.866  -0.361  -0.586  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.570   0.318  -0.763  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        0.381  -0.734  -0.268  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.323  -1.904   0.162  0.00  0.00    +0.270 C 
ATOM      6  O   LIG    1        0.128  -2.941   0.615  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -1.694  -1.610  -0.065  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -2.918  -2.165   0.057  0.00  0.00    -0.256 N 
ATOM      9  N   LIG    1       -3.891  -1.324  -0.384  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        1.768  -0.561  -0.297  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        2.350   0.541  -0.820  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1        3.736   0.671  -0.820  0.00  0.00    -0.285 N 
ATOM     13  C   LIG    1        4.597  -0.282  -0.314  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        5.839   0.123  -0.466  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1        5.811   1.356  -1.072  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1        4.032  -1.465   0.254  0.00  0.00    -0.004 A 
ATOM     17  C   LIG    1        4.886  -2.559   0.843  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1        4.551   1.684  -1.279  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1        4.061   2.934  -1.899  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1        2.680  -1.576   0.253  0.00  0.00    +0.032 A 
ENDBRANCH   4  10
BRANCH   3  21
ATOM     21  C   LIG    1       -0.634   1.580   0.076  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -0.520   1.561   1.479  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.583   2.745   2.218  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.761   3.961   1.565  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -0.840   5.419   2.475  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.878   4.005   0.178  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.815   2.821  -0.562  0.00  0.00    +0.007 A 
ENDBRANCH   3  21
BRANCH   8  28
ATOM     28  C   LIG    1       -3.289  -3.501   0.576  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1       -2.602  -4.189   1.727  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -2.493  -4.758   0.339  0.00  0.00    +0.029 C 
ENDBRANCH   8  28
BRANCH   1  32
ATOM     31  C   LIG    1       -4.609   1.814  -0.227  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1       -4.002   0.948  -1.320  0.00  0.00    +0.054 C 
ENDBRANCH   1  32
TORSDOF 4