REMARK  Name = BDB039210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.604  -3.134   2.304  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        3.332  -1.803   2.046  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        2.052  -1.493   1.420  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        1.923  -0.080   0.912  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.946   0.879   1.102  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        2.809   2.184   0.604  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.655   2.592  -0.070  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.644   1.640  -0.231  0.00  0.00    +0.070 A 
ATOM      9  N   LIG    1       -0.601   1.683  -0.826  0.00  0.00    -0.321 N 
ATOM     10  C   LIG    1       -1.186   0.439  -0.692  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1       -0.373  -0.380  -0.054  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.224   0.477   1.794  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        0.757   0.339   0.240  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.012  -0.710   2.730  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        2.910  -4.065   1.909  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -2.541   0.051  -1.230  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -2.400  -0.597  -2.622  0.00  0.00    +0.026 C 
ATOM     18  C   LIG    1       -2.312  -2.125  -2.538  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -3.587  -2.715  -1.905  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -4.288  -1.761  -0.935  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -3.293  -0.850  -0.228  0.00  0.00    +0.011 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -2.048  -2.722  -3.906  0.00  0.00    +0.308 C 
ATOM     23  O   LIG    1       -2.749  -3.507  -4.521  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -0.877  -2.310  -4.433  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -0.811  -2.804  -5.277  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH  10  16
BRANCH   1  27
ATOM     26  C   LIG    1        5.047  -4.669   3.327  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        4.732  -3.305   3.048  0.00  0.00    -0.454 OA
ENDBRANCH   1  27
BRANCH   9  28
ATOM     28  C   LIG    1       -1.143   2.842  -1.516  0.00  0.00    +0.180 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.585   3.917  -0.560  0.00  0.00    +0.081 A 
ATOM     30  N   LIG    1       -1.025   5.149  -0.706  0.00  0.00    -0.235 NA
ATOM     31  C   LIG    1       -1.452   6.096   0.159  0.00  0.00    +0.148 A 
ATOM     32 CL   LIG    1       -0.728   7.634  -0.028  0.00  0.00    -0.060 Cl
ATOM     33  C   LIG    1       -2.410   5.849   1.126  0.00  0.00    +0.150 A 
ATOM     34  N   LIG    1       -2.986   4.632   1.274  0.00  0.00    -0.258 NA
ATOM     35  C   LIG    1       -2.550   3.676   0.417  0.00  0.00    +0.136 A 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 6