REMARK  Name = BDB007043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.603   0.451  -0.838  0.00  0.00    +0.235 C 
ATOM      2  N   LIG    1        0.255   1.299  -0.153  0.00  0.00    -0.254 N 
ATOM      3  C   LIG    1        1.653   1.267  -0.263  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1        2.219   2.280   0.502  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        3.598   2.412   0.545  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        4.362   1.508  -0.187  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        3.718   0.516  -0.934  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        1.172   3.127   1.172  0.00  0.00    +0.010 C 
ATOM      9  C   LIG    1        1.373   3.207   2.688  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.138   4.533   0.561  0.00  0.00    +0.017 C 
ATOM     11  N   LIG    1        2.367   0.391  -0.976  0.00  0.00    -0.236 NA
ATOM     12  C   LIG    1       -0.114   2.338   0.819  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1       -0.246  -0.356  -1.697  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.102   0.620  -0.484  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.361  -0.386  -0.541  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.897  -0.615  -0.709  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -2.426  -1.688   0.201  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -3.260  -2.990   0.103  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -2.736  -4.036   1.087  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -4.683  -2.740   0.392  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.766  -2.366   1.337  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -5.176  -1.720  -0.550  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -4.956   0.530  -1.642  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -6.942   1.569  -2.386  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -6.330   0.813  -1.348  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        4.522  -0.486  -1.733  0.00  0.00    +0.090 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.257  -1.494  -0.878  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.656  -1.482  -0.794  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.324  -2.416   0.001  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.601  -3.369   0.718  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.210  -3.391   0.639  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.540  -2.459  -0.155  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6