REMARK  Name = BDB016372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.619  -1.686   0.256  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -1.832  -0.926   0.142  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.709   0.479   0.120  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.787   0.755  -0.215  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.773   1.292  -0.447  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.924   1.330   0.533  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.839   0.176   0.289  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.362  -1.085   0.147  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.130  -1.743   0.074  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.062   0.343   0.258  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.226   2.706  -0.667  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.061  -1.631   0.150  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.053  -3.041   0.157  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.869  -3.768   0.216  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.662  -3.093   0.279  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        3.253   0.166   0.511  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        2.365   0.233   1.590  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        1.105  -0.366   1.504  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        0.712  -1.048   0.343  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        1.617  -1.124  -0.728  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        2.879  -0.526  -0.647  0.00  0.00    +0.013 A 
BRANCH  16  25
ATOM     22  C   LIG    1        6.417   1.986  -0.482  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        5.185   1.239  -0.523  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        4.618   1.316  -1.356  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        4.587   0.816   0.648  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        5.081   0.980   1.757  0.00  0.00    -0.270 OA
ENDBRANCH  16  25
ENDBRANCH   1  19
TORSDOF 2