REMARK  Name = BDB012485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.379   0.804  -0.108  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1        2.879  -0.396   0.596  0.00  0.00    -0.221 N 
ATOM      3  N   LIG    1        1.776  -1.019   0.055  0.00  0.00    -0.168 NA
ATOM      4  C   LIG    1        1.283  -2.057   0.654  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        1.875  -2.673   1.856  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.967  -2.083   2.346  0.00  0.00    +0.074 A 
ATOM      7  C   LIG    1        0.006  -2.622   0.132  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.900  -1.710  -0.428  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.158  -2.109  -0.906  0.00  0.00    -0.027 A 
ATOM     10  C   LIG    1       -2.471  -3.473  -0.858  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -1.564  -4.395  -0.320  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.131  -1.108  -1.500  0.00  0.00    +0.160 C 
ATOM     13  N   LIG    1       -3.109   0.172  -0.798  0.00  0.00    -0.307 N 
ATOM     14  C   LIG    1       -2.340   1.272  -1.126  0.00  0.00    +0.204 A 
ATOM     15  N   LIG    1       -2.314   2.130  -0.133  0.00  0.00    -0.214 NA
ATOM     16  C   LIG    1       -3.147   1.624   0.830  0.00  0.00    +0.091 A 
ATOM     17  C   LIG    1       -3.494   2.160   2.078  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -4.369   1.440   2.901  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.883   0.209   2.491  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.544  -0.343   1.250  0.00  0.00    +0.028 A 
ATOM     21  N   LIG    1       -1.710   1.410  -2.341  0.00  0.00    -0.252 N 
ATOM     22  H   LIG    1       -2.164   1.047  -3.166  0.00  0.00    +0.158 HD
ATOM     23  C   LIG    1       -0.728   2.343  -2.583  0.00  0.00    +0.250 C 
ATOM     24  O   LIG    1       -0.555   2.806  -3.708  0.00  0.00    -0.270 OA
ATOM     25  C   LIG    1        0.278   2.605  -1.531  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        1.277   1.644  -1.321  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        0.277   3.796  -0.812  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        1.254   4.000   0.163  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        2.239   3.029   0.397  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1       -3.678   0.400   0.438  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1       -0.328  -3.974   0.181  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1        3.544  -0.874   1.716  0.00  0.00    +0.268 A 
ATOM     33  O   LIG    1        4.555  -0.380   2.210  0.00  0.00    -0.266 OA
ATOM     34  C   LIG    1        2.275   1.841  -0.352  0.00  0.00    -0.022 A 
ENDROOT
BRANCH   1  36
ATOM     35  C   LIG    1        5.385  -0.369  -1.180  0.00  0.00    +0.006 C 
ATOM     36  C   LIG    1        4.109   0.429  -1.417  0.00  0.00    +0.028 C 
ENDBRANCH   1  36
TORSDOF 1