REMARK  Name = BDB046008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.278  -0.012   1.034  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.984   0.741   0.110  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.687   0.911  -1.057  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.170   1.296   0.793  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        2.132   0.796   2.109  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.115   1.107   3.034  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        4.157   1.935   2.627  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.197   2.433   1.314  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        3.199   2.126   0.364  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        0.940  -0.075   2.318  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -4.127  -3.701  -2.074  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -3.863  -2.216  -2.040  0.00  0.00    +0.212 C 
ATOM     13  N   LIG    1       -2.765  -1.792  -1.302  0.00  0.00    -0.302 N 
ATOM     14  C   LIG    1       -1.843  -2.705  -0.631  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -0.577  -2.015  -0.140  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1       -0.916  -0.808   0.744  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1       -2.067   0.046   0.181  0.00  0.00    +0.041 C 
ATOM     18  C   LIG    1       -2.462  -0.363  -1.234  0.00  0.00    +0.109 C 
ATOM     19  O   LIG    1       -4.603  -1.443  -2.647  0.00  0.00    -0.276 OA
ENDBRANCH   1  16
BRANCH   9  20
ATOM     20  C   LIG    1        3.376   2.734  -0.986  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1        4.412   3.329  -1.271  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1        2.385   2.648  -1.912  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        2.580   3.003  -2.838  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        1.569   2.047  -1.813  0.00  0.00    +0.145 HD
ENDBRANCH   9  20
TORSDOF 2