REMARK  Name = BDB040638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.739   0.693   0.569  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.929  -0.147  -0.145  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        2.226  -1.136  -0.788  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.570   0.376  -0.022  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.635   1.531   0.722  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.490   2.271   0.994  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.708   1.790   0.488  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -1.816   0.588  -0.265  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -0.622  -0.108  -0.533  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        2.034   1.749   1.082  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        2.440   2.700   1.722  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        7.949  -0.475  -0.712  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        6.829  -0.169  -0.314  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        6.047   0.717  -1.014  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.426   1.042  -1.893  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.755   1.105  -0.737  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        4.147   1.840  -1.513  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        4.192   0.625   0.605  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.746  -0.755   0.945  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        6.266  -0.687   0.989  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1       -3.032   0.160  -0.768  0.00  0.00    -0.321 N 
ATOM     22  C   LIG    1       -4.329   0.542  -0.172  0.00  0.00    +0.088 C 
ATOM     23  C   LIG    1       -4.557  -0.298   1.127  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1       -4.549  -1.771   0.928  0.00  0.00    -0.312 NA
ATOM     25  H   LIG    1       -5.431  -2.034   0.489  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -3.447  -2.156   0.009  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -5.309   0.109  -1.280  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1       -4.606  -1.061  -1.986  0.00  0.00    +0.025 C 
ATOM     29  C   LIG    1       -3.270  -1.223  -1.234  0.00  0.00    +0.088 C 
ENDBRANCH   8  21
TORSDOF 2