REMARK  Name = BDB016308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.651  -1.008  -0.956  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1       -2.537  -0.023  -0.411  0.00  0.00    +0.058 A 
ATOM      3  N   LIG    1       -1.948   1.055   0.248  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.046   1.317  -0.148  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.618   2.116   0.969  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.768   2.694   0.182  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -5.000   1.855   0.286  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.969   0.538  -0.035  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.901   0.142  -0.023  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.079   2.358   0.612  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.950   1.677   2.394  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.922  -0.299  -0.469  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -4.374  -1.514  -1.027  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -3.494  -2.447  -1.565  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.134  -2.189  -1.539  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  21
ATOM     16  C   LIG    1        4.292  -0.376   0.175  0.00  0.00    +0.061 A 
ATOM     17  C   LIG    1        3.047  -0.661   0.762  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        1.910  -0.698  -0.065  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        1.990  -0.456  -1.436  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        0.675  -0.556  -1.957  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1       -0.189  -0.840  -0.914  0.00  0.00    +0.052 A 
ATOM     22  C   LIG    1        3.244  -0.173  -2.011  0.00  0.00    +0.011 A 
ATOM     23  N   LIG    1        0.582  -0.955   0.227  0.00  0.00    -0.343 N 
ATOM     24  C   LIG    1        0.091  -1.287   1.550  0.00  0.00    +0.149 C 
ATOM     25  C   LIG    1        4.386  -0.137  -1.199  0.00  0.00    +0.016 A 
BRANCH  16  26
ATOM     26  C   LIG    1        5.483  -0.343   1.070  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1        5.428  -0.544   2.274  0.00  0.00    -0.245 OA
BRANCH  26  29
ATOM     28  C   LIG    1        7.794  -0.015   1.161  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1        6.608  -0.063   0.365  0.00  0.00    -0.464 OA
ENDBRANCH  26  29
ENDBRANCH  16  26
ENDBRANCH   1  21
TORSDOF 3