REMARK  Name = BDB049215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.182  -1.155  -0.730  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.388   0.371  -0.519  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        0.620   0.750   0.590  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1        1.216  -0.516   1.028  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        1.225  -1.389  -0.143  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.813   0.764  -0.217  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.598   0.455   0.945  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.859   1.034   0.771  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.875   0.920   1.735  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -4.600   0.201   2.901  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.356  -0.387   3.100  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -3.844   1.665  -0.453  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -4.960   2.379  -1.030  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -2.352  -0.268   2.133  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -2.624   1.514  -1.050  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  C   LIG    1        0.531  -1.237  -3.104  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -0.451  -1.648  -2.103  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -0.600  -3.104  -2.117  0.00  0.00    +0.104 C 
ENDBRANCH   1  17
BRANCH   4  19
ATOM     19  C   LIG    1        2.462  -0.418   1.780  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.678   0.104   1.044  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1        4.527  -0.774   0.353  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.650  -0.294  -0.323  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.940   1.068  -0.314  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.111   1.951   0.374  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.987   1.472   1.051  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4