REMARK  Name = BDB016303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.199  -1.857  -0.170  0.00  0.00    +0.007 A 
ATOM      2  C   LIG    1       -2.314  -0.965  -0.254  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -2.190   0.306   0.345  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.212   0.553   0.483  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.983   1.409  -0.172  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.388   1.277   0.372  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -5.210   0.390  -0.505  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.738  -0.793  -0.969  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.465  -1.280  -1.480  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.372   0.700  -0.789  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.353   2.719   0.311  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.501  -1.462  -0.844  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.516  -2.764  -1.389  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.407  -3.602  -1.325  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -1.252  -3.152  -0.708  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  20
ATOM     16  C   LIG    1        3.392   0.955  -0.504  0.00  0.00    +0.061 A 
ATOM     17  C   LIG    1        3.249   0.252   0.704  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        2.088  -0.521   0.890  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        1.088  -0.604  -0.083  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        0.065  -1.454   0.434  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        0.464  -1.872   1.686  0.00  0.00    +0.095 A 
ATOM     22  C   LIG    1        1.249   0.108  -1.289  0.00  0.00    +0.011 A 
ATOM     23  N   LIG    1        1.681  -1.303   1.952  0.00  0.00    -0.349 N 
ATOM     24  C   LIG    1        2.426  -1.494   3.176  0.00  0.00    +0.149 C 
ATOM     25  C   LIG    1        2.399   0.880  -1.487  0.00  0.00    +0.016 A 
BRANCH  16  26
ATOM     26  C   LIG    1        4.588   1.799  -0.787  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1        4.738   2.433  -1.819  0.00  0.00    -0.245 OA
BRANCH  26  29
ATOM     28  C   LIG    1        6.636   2.546   0.048  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1        5.462   1.758   0.250  0.00  0.00    -0.464 OA
ENDBRANCH  26  29
ENDBRANCH  16  26
ENDBRANCH   1  20
TORSDOF 3