REMARK  Name = BDB016392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.665   0.289  -2.380  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -4.912   0.310  -0.868  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -3.644   0.571  -0.205  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -2.854   0.175  -0.714  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.514   0.341   1.180  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.582   0.378   2.110  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -4.327   0.115   3.472  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.042  -0.124   3.945  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.977  -0.094   3.059  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -5.941   0.652   1.844  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -6.583   0.559   2.622  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -6.600   1.091   0.744  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -7.821   1.259   0.827  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -2.185   0.147   1.688  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -5.875   1.422  -0.518  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.991   0.176   0.817  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1       -0.273  -1.001   0.544  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        0.853  -0.977  -0.284  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        1.281   0.234  -0.837  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        0.567   1.409  -0.595  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -0.555   1.380   0.236  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  C   LIG    1        2.454   0.283  -1.740  0.00  0.00    +0.247 C 
ATOM     23  N   LIG    1        3.663  -0.238  -1.297  0.00  0.00    -0.295 N 
ATOM     24  C   LIG    1        4.788  -0.267  -2.233  0.00  0.00    +0.123 C 
ATOM     25  C   LIG    1        5.872  -1.273  -1.808  0.00  0.00    +0.103 C 
ATOM     26  N   LIG    1        6.379  -1.113  -0.428  0.00  0.00    -0.302 NA
ATOM     27  C   LIG    1        7.735  -0.569  -0.406  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1        5.478  -0.300   0.411  0.00  0.00    +0.103 C 
ATOM     29  C   LIG    1        3.987  -0.535   0.104  0.00  0.00    +0.123 C 
ATOM     30  O   LIG    1        2.301   0.786  -2.850  0.00  0.00    -0.270 OA
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 2