REMARK  Name = BDB064679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.916  -0.497   0.007  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.867  -1.701   0.716  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        0.338  -2.054   1.477  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        1.112  -2.974   0.543  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -0.019  -3.829  -0.031  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.237  -2.881  -0.081  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1        0.074   0.214  -0.180  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.142  -0.980   2.237  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.041  -0.266   1.478  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        1.724  -0.124   0.519  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.953  -0.758   3.432  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.722   0.863   2.065  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.711   1.449   1.094  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        5.041   1.004   1.075  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        5.951   1.529   0.155  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        5.533   2.497  -0.756  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        6.653   3.143  -1.891  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        4.212   2.941  -0.758  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        3.302   2.415   0.161  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  20
ATOM     20  O   LIG    1       -0.260  -4.951   0.818  0.00  0.00    -0.390 OA
ATOM     21  H   LIG    1       -0.709  -4.656   1.629  0.00  0.00    +0.210 HD
ENDBRANCH   5  20
BRANCH   1  22
ATOM     22  C   LIG    1       -2.330  -0.062  -0.475  0.00  0.00    +0.164 C 
BRANCH  22  25
ATOM     23  C   LIG    1       -1.639   0.956  -4.064  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -2.057   0.067  -2.924  0.00  0.00    +0.211 C 
ATOM     25  N   LIG    1       -2.121   0.707  -1.707  0.00  0.00    -0.304 N 
ATOM     26  H   LIG    1       -1.538   1.530  -1.611  0.00  0.00    +0.149 HD
ATOM     27  O   LIG    1       -2.300  -1.125  -3.077  0.00  0.00    -0.276 OA
ENDBRANCH  22  25
BRANCH  22  28
ATOM     28  C   LIG    1       -3.115   0.753   0.602  0.00  0.00    -0.011 C 
ATOM     29  C   LIG    1       -4.479   1.186   0.019  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -2.358   2.016   1.055  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1       -3.397  -0.118   1.843  0.00  0.00    +0.013 C 
ENDBRANCH  22  28
ENDBRANCH   1  22
TORSDOF 7