REMARK  Name = BDB037041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.316   0.932   0.482  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        1.769   1.468  -0.713  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        2.823   2.030  -0.939  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.727   1.213  -1.714  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        0.697   1.596  -3.041  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.407   1.201  -3.794  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.435   0.438  -3.207  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -1.387   0.056  -1.853  0.00  0.00    -0.017 A 
ATOM      9  C   LIG    1       -0.284   0.461  -1.114  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1        0.081   0.180   0.305  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        5.595   0.490   3.926  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        4.606   0.626   3.211  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        4.282  -0.316   2.267  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        4.919  -1.095   2.182  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        3.137  -0.391   1.507  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        2.909  -1.392   0.828  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        2.140   0.766   1.675  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        2.865   2.042   2.104  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        3.640   1.774   3.385  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1       -2.464  -0.758  -1.278  0.00  0.00    -0.041 C 
ATOM     21  C   LIG    1       -2.698  -2.131  -1.860  0.00  0.00    +0.050 C 
ATOM     22  C   LIG    1       -3.580  -2.996  -0.946  0.00  0.00    +0.086 C 
ATOM     23  N   LIG    1       -4.756  -2.255  -0.486  0.00  0.00    -0.312 NA
ATOM     24  H   LIG    1       -5.346  -2.864   0.079  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -4.369  -1.090   0.310  0.00  0.00    +0.108 C 
ATOM     26  C   LIG    1       -3.238  -0.298  -0.279  0.00  0.00    -0.008 C 
ENDBRANCH   8  20
TORSDOF 2