REMARK  Name = BDB049964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.898  -0.943  -1.405  0.00  0.00    +0.053 C 
ATOM      2  C   LIG    1        0.512  -0.418  -1.102  0.00  0.00    +0.094 C 
ATOM      3  N   LIG    1        1.340  -0.998  -2.176  0.00  0.00    -0.296 NA
ATOM      4  C   LIG    1        0.504  -0.845  -3.373  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1       -0.858  -1.322  -2.892  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -3.041   3.325  -2.420  0.00  0.00    +0.065 C 
ATOM      7  C   LIG    1       -2.967   2.115  -1.538  0.00  0.00    +0.039 A 
ATOM      8  N   LIG    1       -2.036   1.183  -1.843  0.00  0.00    -0.256 NA
ATOM      9  C   LIG    1       -1.959   0.076  -1.065  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.792  -0.121   0.033  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -3.752   0.845   0.343  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -3.836   1.983  -0.461  0.00  0.00    +0.031 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.643   0.686   1.480  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -5.069  -0.520   1.999  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1       -5.898  -0.219   3.042  0.00  0.00    -0.274 N 
ATOM     16  C   LIG    1       -6.593  -1.151   3.896  0.00  0.00    +0.172 C 
ATOM     17  N   LIG    1       -6.050   1.101   3.242  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1       -5.287   1.650   2.292  0.00  0.00    +0.142 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1        2.622  -0.305  -2.330  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.538  -0.616  -1.203  0.00  0.00    +0.050 A 
ATOM     21  N   LIG    1        3.702  -1.889  -0.737  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        3.223  -2.724  -1.058  0.00  0.00    +0.189 HD
ATOM     23  N   LIG    1        4.579  -1.987   0.275  0.00  0.00    -0.178 NA
ATOM     24  C   LIG    1        4.989  -0.727   0.472  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1        4.365   0.168  -0.430  0.00  0.00    +0.049 A 
BRANCH  24  26
ATOM     26  C   LIG    1        5.991  -0.394   1.541  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        7.334  -1.085   1.297  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        5.462  -0.722   2.938  0.00  0.00    +0.014 C 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5