REMARK  Name = BDB049966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.616  -0.532   0.855  0.00  0.00    +0.055 C 
ATOM      2  C   LIG    1       -0.221   0.702   1.217  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -1.609   0.564   0.758  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -2.337   1.735   0.535  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -1.871   2.834   0.838  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -2.204  -0.770   0.855  0.00  0.00    +0.108 C 
ATOM      7  C   LIG    1       -1.455  -1.674   1.829  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1        0.024  -1.816   1.466  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.852   0.467   4.369  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1        3.602   0.114   2.933  0.00  0.00    +0.039 A 
ATOM     11  N   LIG    1        2.314  -0.041   2.548  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1        2.064  -0.351   1.254  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        3.082  -0.522   0.321  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1        4.410  -0.361   0.723  0.00  0.00    -0.012 A 
ATOM     15  C   LIG    1        4.669  -0.040   2.056  0.00  0.00    +0.031 A 
BRANCH  14  16
ATOM     16  C   LIG    1        5.506  -0.532  -0.214  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        5.454  -0.249  -1.564  0.00  0.00    +0.116 A 
ATOM     18  N   LIG    1        6.693  -0.528  -2.064  0.00  0.00    -0.274 N 
ATOM     19  C   LIG    1        7.132  -0.383  -3.430  0.00  0.00    +0.172 C 
ATOM     20  N   LIG    1        7.556  -0.976  -1.136  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1        6.835  -0.974  -0.012  0.00  0.00    +0.142 A 
ENDBRANCH  14  16
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  C   LIG    1       -3.650   1.661  -0.062  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1       -4.536   2.698   0.072  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1       -4.377   3.568   0.571  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1       -5.721   2.496  -0.525  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1       -5.582   1.309  -1.126  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1       -4.300   0.756  -0.878  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -6.706   0.740  -1.944  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1       -6.310   0.586  -3.414  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1       -7.193  -0.595  -1.377  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 4