REMARK  Name = BDB028746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.183  -0.818  -1.290  0.00  0.00    +0.226 C 
ATOM      2  N   LIG    1        1.841  -1.107  -1.073  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        0.840  -0.295  -1.791  0.00  0.00    +0.135 C 
ATOM      4  C   LIG    1        0.262   0.828  -0.882  0.00  0.00    +0.121 C 
ATOM      5  N   LIG    1       -0.287   0.255   0.393  0.00  0.00    -0.316 N 
ATOM      6  C   LIG    1        0.721  -0.584   1.111  0.00  0.00    +0.095 C 
ATOM      7  C   LIG    1        1.332  -1.680   0.188  0.00  0.00    +0.130 C 
ATOM      8  O   LIG    1        3.544   0.072  -2.062  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -0.696   1.805  -1.556  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -1.503   1.451  -2.650  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -2.381   2.380  -3.218  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.464   3.668  -2.696  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -3.548   4.806  -3.397  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -1.680   4.038  -1.609  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.804   3.110  -1.041  0.00  0.00    +0.007 A 
ENDBRANCH   4   9
BRANCH   5  16
ATOM     16  C   LIG    1       -1.623  -0.144   0.404  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -2.113  -1.288  -0.235  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -3.473  -1.616  -0.184  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -4.360  -0.798   0.510  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -6.030  -1.202   0.569  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -3.898   0.343   1.155  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -2.539   0.661   1.100  0.00  0.00    +0.024 A 
ENDBRANCH   5  16
BRANCH   6  23
ATOM     23  C   LIG    1        0.186  -1.178   2.394  0.00  0.00    +0.011 C 
ATOM     24  C   LIG    1       -0.020  -0.307   3.609  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        1.085  -1.325   3.599  0.00  0.00    +0.006 C 
ENDBRANCH   6  23
BRANCH   1  26
ATOM     26  C   LIG    1        4.224  -1.685  -0.626  0.00  0.00    +0.216 C 
BRANCH  26  28
ATOM     27  O   LIG    1        4.059  -0.439   1.433  0.00  0.00    -0.250 OA
ATOM     28  C   LIG    1        4.722  -1.126   0.671  0.00  0.00    +0.314 C 
BRANCH  28  29
ATOM     29  O   LIG    1        5.976  -1.529   0.985  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1        6.421  -2.066   0.302  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 6