REMARK  Name = BDB051448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.702  -0.423  -0.550  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -4.399  -0.671  -0.074  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -4.215  -1.624   0.921  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -2.863  -1.621   1.152  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -2.388  -2.190   1.836  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -2.265  -0.703   0.320  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -5.258  -2.359   1.490  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -6.546  -2.103   1.009  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -3.183  -0.112  -0.426  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -6.768  -1.154   0.007  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.825  -0.421   0.294  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -0.360   0.710  -0.393  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        1.006   1.021  -0.441  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        1.945   0.203   0.195  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        1.483  -0.931   0.876  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        0.117  -1.242   0.925  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        3.373   0.489   0.171  0.00  0.00    +0.090 A 
ATOM     18  N   LIG    1        4.303  -0.296   0.823  0.00  0.00    -0.228 NA
ATOM     19  C   LIG    1        5.471   0.261   0.579  0.00  0.00    +0.138 A 
ATOM     20  N   LIG    1        5.335   1.392  -0.216  0.00  0.00    -0.306 N 
ATOM     21  C   LIG    1        6.409   2.177  -0.629  0.00  0.00    +0.093 A 
ATOM     22  C   LIG    1        7.652   1.838  -0.246  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1        7.835   0.659   0.588  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        6.789  -0.095   0.982  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        3.995   1.537  -0.476  0.00  0.00    +0.121 A 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  29
ATOM     26  N   LIG    1       -4.915   1.251  -2.130  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1       -3.968   1.069  -1.805  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -5.073   1.928  -2.862  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1       -5.979   0.573  -1.611  0.00  0.00    +0.244 C 
ATOM     30  O   LIG    1       -7.118   0.783  -2.011  0.00  0.00    -0.270 OA
ENDBRANCH   1  29
TORSDOF 3