REMARK  Name = BDB054625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.475  -1.444   0.952  0.00  0.00    -0.330 N 
ATOM      2  C   LIG    1        0.208  -0.932   0.750  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -0.442  -1.935   0.036  0.00  0.00    +0.097 A 
ATOM      4  N   LIG    1        0.413  -2.979  -0.244  0.00  0.00    -0.235 NA
ATOM      5  C   LIG    1        1.542  -2.665   0.336  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.343   0.463   1.228  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -1.352   1.292   0.633  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.525   2.397   1.472  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -2.451   3.419   1.215  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.207   3.325   0.045  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.036   2.269  -0.840  0.00  0.00    +0.021 A 
ATOM     12 CL   LIG    1       -4.356   4.558  -0.314  0.00  0.00    -0.083 Cl
ATOM     13  N   LIG    1       -0.637   2.262   2.511  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -0.541   2.921   3.272  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -2.104   1.260  -0.563  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        0.103   1.121   2.355  0.00  0.00    +0.093 A 
ENDBRANCH   2   6
BRANCH   3  17
ATOM     17  C   LIG    1       -1.848  -2.047  -0.311  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -2.206  -2.479  -1.595  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -3.550  -2.616  -1.949  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -4.547  -2.336  -1.015  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.202  -1.932   0.274  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -2.857  -1.798   0.628  0.00  0.00    +0.010 A 
ENDBRANCH   3  17
BRANCH   1  23
ATOM     23  C   LIG    1        2.617  -0.838   1.601  0.00  0.00    +0.123 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.213   0.405   0.926  0.00  0.00    +0.024 C 
BRANCH  24  26
ATOM     25  C   LIG    1        3.053   0.059  -1.603  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1        3.978   0.133  -0.387  0.00  0.00    -0.016 C 
ATOM     27  C   LIG    1        5.010   1.243  -0.620  0.00  0.00    +0.007 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 5