REMARK  Name = BDB059139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.716   0.549   0.826  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.082   1.593   0.037  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.345   0.836  -0.348  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.524  -0.119   0.832  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.183  -0.503   1.231  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        6.047  -1.052  -1.489  0.00  0.00    -0.169 NA
ATOM      7  C   LIG    1        5.344  -0.483  -0.553  0.00  0.00    +0.182 A 
ATOM      8  C   LIG    1        3.894  -0.516  -0.627  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1        2.974  -1.085  -1.536  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.706  -0.785  -1.075  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.822  -0.034   0.080  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        3.154   0.105   0.351  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        3.751   0.733   1.382  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        3.265   1.119   2.183  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        5.129   0.694   1.414  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        5.924   0.147   0.546  0.00  0.00    -0.216 NA
BRANCH   6  17
ATOM     17  N   LIG    1        7.400  -0.940  -1.362  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        7.662  -0.683  -0.405  0.00  0.00    +0.164 HD
ATOM     19  H   LIG    1        7.857  -1.819  -1.601  0.00  0.00    +0.164 HD
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1       -0.459   2.697   0.888  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1        0.231   3.381   0.794  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -2.436   1.733  -0.523  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -2.306   2.448   0.133  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -2.317  -1.406   0.528  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.768  -1.167   0.172  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -4.208  -1.153  -1.161  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -5.549  -0.912  -1.468  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -6.463  -0.683  -0.444  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -8.116  -0.386  -0.820  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -6.047  -0.692   0.885  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -4.705  -0.932   1.192  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1       -1.650  -2.154  -0.497  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -0.786  -2.402  -0.117  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 7