REMARK  Name = BDB064260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.418  -1.049   0.265  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1        0.801  -0.433   0.078  0.00  0.00    -0.297 N 
ATOM      3  H   LIG    1        0.812   0.578   0.029  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.605  -2.256   0.183  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -5.321  -0.155   0.125  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1       -4.001   0.200   0.445  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.851   1.452   1.057  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -2.574   1.867   1.415  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -1.439   1.082   1.175  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -1.577  -0.156   0.548  0.00  0.00    +0.038 A 
ATOM     11  N   LIG    1       -4.882   2.258   1.317  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -6.095   1.812   0.963  0.00  0.00    +0.223 A 
ATOM     13  C   LIG    1       -2.857  -0.600   0.197  0.00  0.00    +0.026 A 
ATOM     14  N   LIG    1       -6.366   0.642   0.378  0.00  0.00    -0.221 NA
BRANCH   5  15
ATOM     15  N   LIG    1       -5.624  -1.383  -0.484  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -5.320  -2.148   0.112  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -5.142  -1.461  -1.374  0.00  0.00    +0.144 HD
ENDBRANCH   5  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  C   LIG    1        2.102  -1.132  -0.227  0.00  0.00    +0.106 C 
ATOM     19  C   LIG    1        2.406  -2.389   0.648  0.00  0.00    +0.192 C 
ATOM     20  O   LIG    1        2.639  -3.206  -0.526  0.00  0.00    -0.375 OA
ATOM     21  C   LIG    1        2.031  -2.196  -1.368  0.00  0.00    +0.192 C 
BRANCH  18  22
ATOM     22  C   LIG    1        3.282  -0.023  -0.336  0.00  0.00    -0.020 A 
ATOM     23  C   LIG    1        4.007   0.406   0.797  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        5.005   1.384   0.716  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.298   1.970  -0.508  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        6.520   3.175  -0.613  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        4.599   1.590  -1.647  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        3.602   0.612  -1.556  0.00  0.00    +0.007 A 
ENDBRANCH  18  22
ENDBRANCH   2  18
TORSDOF 4