REMARK  Name = BDB016221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.301   1.259   0.164  0.00  0.00    +0.252 C 
ATOM      2  N   LIG    1        0.528   0.038  -0.437  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.299  -0.441  -0.777  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        1.160   1.974   0.672  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  17
ATOM      5  C   LIG    1       -3.291  -1.351   1.725  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1       -2.941  -1.388   0.239  0.00  0.00    +0.179 C 
ATOM      7  O   LIG    1       -1.996  -0.402  -0.162  0.00  0.00    -0.486 OA
ATOM      8  C   LIG    1       -2.267   0.926  -0.006  0.00  0.00    +0.154 A 
ATOM      9  C   LIG    1       -3.546   1.515  -0.013  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1       -3.659   2.904   0.193  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -2.542   3.709   0.382  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -1.280   3.136   0.362  0.00  0.00    +0.017 A 
ATOM     13  N   LIG    1       -4.783   0.875  -0.209  0.00  0.00    -0.282 N 
ATOM     14  H   LIG    1       -5.614   1.453  -0.134  0.00  0.00    +0.155 HD
ATOM     15  C   LIG    1       -5.128  -0.404  -0.491  0.00  0.00    +0.221 C 
ATOM     16  O   LIG    1       -6.326  -0.677  -0.599  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -1.124   1.754   0.160  0.00  0.00    +0.080 A 
ATOM     18  C   LIG    1       -4.090  -1.448  -0.736  0.00  0.00    +0.140 C 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1        1.749  -0.648  -0.596  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.989  -0.157  -0.175  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        4.172  -0.896  -0.367  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        4.085  -2.147  -0.994  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        2.854  -2.646  -1.418  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        1.694  -1.900  -1.220  0.00  0.00    +0.023 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.464  -0.383   0.072  0.00  0.00    +0.155 A 
ATOM     26  O   LIG    1        5.484   0.848   0.678  0.00  0.00    -0.442 OA
ATOM     27  C   LIG    1        6.795   1.057   0.972  0.00  0.00    +0.308 A 
ATOM     28  N   LIG    1        7.609   0.091   0.616  0.00  0.00    -0.224 NA
ATOM     29  C   LIG    1        6.769  -0.831   0.041  0.00  0.00    +0.160 A 
ENDBRANCH  21  25
ENDBRANCH   2  19
TORSDOF 3