REMARK  Name = BDB006704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.918   0.663   0.477  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1       -1.617   0.148   0.421  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -0.527  -0.225  -0.499  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        0.466  -0.820   0.466  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.005  -0.739   1.815  0.00  0.00    +0.270 C 
ATOM      6  O   LIG    1        0.530  -1.100   2.849  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -1.284  -0.146   1.706  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -2.314   0.218   2.484  0.00  0.00    -0.256 N 
ATOM      9  N   LIG    1       -3.346   0.720   1.760  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        1.669  -1.407   0.063  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        2.588  -1.884   0.923  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1        3.782  -2.457   0.511  0.00  0.00    -0.316 N 
ATOM     13  C   LIG    1        4.704  -2.933   1.533  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1        4.133  -2.581  -0.828  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1        5.184  -3.074  -1.230  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        3.125  -2.068  -1.806  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        3.470  -2.200  -3.256  0.00  0.00    +0.049 C 
ATOM     18  C   LIG    1        1.980  -1.527  -1.356  0.00  0.00    +0.033 A 
ENDBRANCH   4  10
BRANCH   3  19
ATOM     19  C   LIG    1       -0.081   1.068  -1.158  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1       -0.489   1.341  -2.477  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -0.103   2.521  -3.119  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.696   3.443  -2.449  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        1.169   4.896  -3.239  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        1.112   3.196  -1.144  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.725   2.017  -0.501  0.00  0.00    +0.007 A 
ENDBRANCH   3  19
BRANCH   8  26
ATOM     26  C   LIG    1       -2.367   0.068   3.949  0.00  0.00    +0.108 C 
ATOM     27  C   LIG    1       -1.466   0.861   4.867  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1       -2.940   1.138   4.848  0.00  0.00    +0.029 C 
ENDBRANCH   8  26
BRANCH   1  29
ATOM     29  C   LIG    1       -3.791   1.113  -0.648  0.00  0.00    +0.216 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -4.452   0.717  -2.874  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1       -3.570   0.327  -1.829  0.00  0.00    -0.377 OA
ENDBRANCH  29  31
ENDBRANCH   1  29
TORSDOF 5