REMARK  Name = BDB006898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.332  -1.638  -0.167  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.288  -2.454  -0.577  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.955  -2.170  -1.169  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.712  -3.335  -1.256  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        2.981  -3.272  -1.787  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.522  -2.120  -2.238  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        2.765  -0.992  -2.171  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.981  -4.525  -0.695  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.612  -4.969   0.631  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.920  -5.695  -1.679  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.464  -0.986  -1.663  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.423  -3.916  -0.463  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -2.420  -2.135   0.146  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.077  -0.124  -0.085  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -1.916   2.075   0.578  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.062   0.599   0.759  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -1.903   0.246   2.184  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -2.994   0.922   3.062  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -2.588   0.903   4.535  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -3.344   2.307   2.671  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.161   2.240   2.062  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -2.260   2.896   1.864  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -2.809   2.539  -0.595  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.273   4.367  -2.014  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -2.427   3.863  -0.988  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        3.384   0.286  -2.704  0.00  0.00    +0.090 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.280   1.462  -1.753  0.00  0.00    -0.041 A 
ATOM     28  C   LIG    1        2.391   2.516  -2.014  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        2.257   3.569  -1.105  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        3.015   3.576   0.063  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1        2.841   4.867   1.186  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        3.909   2.541   0.331  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        4.041   1.486  -0.574  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6