REMARK  Name = BDB018544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.026   2.348   0.222  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.403   2.227  -0.114  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.168   3.333  -0.015  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.662   4.564   0.365  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.569   5.700   0.426  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        0.681   4.753   0.661  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        1.194   5.824   0.973  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.532   3.541   0.587  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.686  -0.975   0.339  0.00  0.00    +0.121 A 
ATOM     10  N   LIG    1        2.725  -0.844   1.280  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1        1.897   0.227   1.212  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        1.972   1.217   0.240  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.976   1.087  -0.716  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.836  -0.012  -0.662  0.00  0.00    +0.044 A 
BRANCH   9  16
ATOM     15  C   LIG    1        4.473  -2.825   1.636  0.00  0.00    +0.130 C 
ATOM     16  N   LIG    1        4.569  -2.075   0.382  0.00  0.00    -0.321 N 
ATOM     17  C   LIG    1        4.475  -2.910  -0.816  0.00  0.00    +0.130 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -0.972   0.982  -0.539  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -2.098   0.379  -0.022  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1       -2.274  -0.814  -0.692  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1       -1.361  -0.932  -1.697  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -0.560   0.125  -1.569  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.251  -1.847  -0.508  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1       -4.061  -1.990   0.640  0.00  0.00    +0.095 A 
ATOM     25  C   LIG    1       -5.013  -3.032   0.675  0.00  0.00    +0.060 A 
ATOM     26 CL   LIG    1       -6.063  -3.279   2.034  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -5.150  -3.928  -0.389  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -4.333  -3.808  -1.503  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -3.392  -2.781  -1.560  0.00  0.00    +0.029 A 
BRANCH  24  30
ATOM     30  C   LIG    1       -3.921  -1.176   1.811  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -3.807  -0.511   2.756  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 5