REMARK  Name = BDB032076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.334  -0.499   0.639  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1       -1.117   0.595  -0.244  0.00  0.00    +0.091 A 
ATOM      3  C   LIG    1       -0.125   1.384   0.300  0.00  0.00    +0.149 A 
ATOM      4  N   LIG    1        0.404   2.524  -0.205  0.00  0.00    -0.219 NA
ATOM      5  C   LIG    1       -0.146   2.881  -1.328  0.00  0.00    +0.204 A 
ATOM      6  N   LIG    1       -1.156   2.202  -1.994  0.00  0.00    -0.302 N 
ATOM      7  C   LIG    1       -1.673   2.708  -3.247  0.00  0.00    +0.153 C 
ATOM      8  N   LIG    1        0.271   0.817   1.480  0.00  0.00    -0.322 N 
ATOM      9  C   LIG    1       -1.705   1.011  -1.500  0.00  0.00    +0.263 A 
ATOM     10  O   LIG    1       -2.591   0.384  -2.075  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -0.455  -0.328   1.698  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   1  18
ATOM     12  C   LIG    1       -4.775  -3.440   2.765  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1       -3.924  -3.076   1.584  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -3.987  -3.813   0.398  0.00  0.00    +0.138 A 
ATOM     15  C   LIG    1       -3.192  -3.468  -0.700  0.00  0.00    +0.083 A 
ATOM     16 CL   LIG    1       -3.274  -4.388  -2.158  0.00  0.00    -0.080 Cl
ATOM     17  C   LIG    1       -2.322  -2.382  -0.626  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1       -2.243  -1.630   0.550  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1       -3.045  -1.984   1.649  0.00  0.00    +0.015 A 
BRANCH  14  20
ATOM     20  O   LIG    1       -4.845  -4.881   0.341  0.00  0.00    -0.505 OA
ATOM     21  H   LIG    1       -4.763  -5.264  -0.552  0.00  0.00    +0.292 HD
ENDBRANCH  14  20
ENDBRANCH   1  18
BRANCH   8  22
ATOM     22  C   LIG    1        1.276   1.363   2.373  0.00  0.00    +0.219 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.679   0.962   1.963  0.00  0.00    +0.237 C 
ATOM     24  N   LIG    1        3.123   1.579   0.804  0.00  0.00    -0.283 N 
ATOM     25  H   LIG    1        2.440   2.152   0.302  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        3.329   0.182   2.656  0.00  0.00    -0.274 OA
BRANCH  24  27
ATOM     27  C   LIG    1        4.388   1.442   0.177  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        4.631   2.127  -1.022  0.00  0.00    +0.080 A 
ATOM     29 CL   LIG    1        3.449   3.141  -1.762  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1        5.872   1.989  -1.631  0.00  0.00    +0.132 A 
ATOM     31  N   LIG    1        6.876   1.230  -1.137  0.00  0.00    -0.262 NA
ATOM     32  C   LIG    1        6.622   0.581   0.017  0.00  0.00    +0.112 A 
ATOM     33  C   LIG    1        5.416   0.655   0.700  0.00  0.00    +0.044 A 
ENDBRANCH  24  27
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 5