REMARK  Name = BDB016342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.068  -1.632  -0.259  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        1.286  -1.003  -0.190  0.00  0.00    -0.264 N 
ATOM      3  H   LIG    1        1.957  -1.353  -0.856  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.131  -2.463  -1.150  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM      5  C   LIG    1       -3.554   1.477  -1.629  0.00  0.00    +0.028 C 
ATOM      6  C   LIG    1       -3.547  -0.042  -1.793  0.00  0.00    +0.076 C 
ATOM      7  N   LIG    1       -2.410  -0.628  -1.118  0.00  0.00    -0.339 N 
ATOM      8  H   LIG    1       -1.848  -1.254  -1.702  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -2.298  -0.932   0.238  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -3.291  -0.721   1.219  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.995  -0.948   2.583  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -1.755  -1.421   3.001  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -0.769  -1.650   2.058  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -4.624  -0.320   0.999  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1       -5.173  -0.082   1.816  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -5.383  -0.275  -0.123  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.555   0.102  -0.028  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -1.024  -1.369   0.707  0.00  0.00    +0.060 A 
ATOM     19  C   LIG    1       -4.836  -0.740  -1.433  0.00  0.00    +0.118 C 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1        1.667   0.113   0.526  0.00  0.00    +0.155 A 
ATOM     21  C   LIG    1        2.951   0.732   0.458  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        2.904   1.775   1.356  0.00  0.00    +0.118 A 
ATOM     23  N   LIG    1        1.642   1.762   1.863  0.00  0.00    -0.272 N 
ATOM     24  C   LIG    1        1.080   2.680   2.824  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        0.880   0.768   1.384  0.00  0.00    -0.156 NA
BRANCH  21  26
ATOM     26  C   LIG    1        4.082   0.355  -0.374  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        4.104  -0.105  -1.670  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        5.422  -0.284  -1.980  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        5.965  -0.750  -3.233  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.258   0.032  -0.973  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.437   0.432   0.003  0.00  0.00    +0.143 A 
ENDBRANCH  21  26
ENDBRANCH   2  20
TORSDOF 3