REMARK  Name = BDB025010
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.160  -0.120   0.737  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        5.120   0.414  -0.044  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.467   1.562  -0.908  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.345   1.127  -2.094  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.266   2.339  -1.470  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.157   2.425  -0.443  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.744   1.020  -0.113  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.391   0.653   0.036  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.271   1.429  -0.091  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.763   0.639   0.134  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1       -0.338  -0.648   0.414  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        1.047  -0.655   0.346  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        2.013  -1.652   0.514  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.356  -1.277   0.374  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.741   0.039   0.086  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        7.338   0.209   0.615  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.152  -1.831   0.727  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -1.961  -1.653   2.022  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -2.461  -2.980   2.590  0.00  0.00    +0.083 C 
ATOM     20  N   LIG    1       -3.722  -3.467   2.053  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1       -3.864  -4.433   2.350  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.959  -3.344   0.623  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1       -2.759  -3.580  -0.289  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1       -1.922  -2.320  -0.507  0.00  0.00    +0.026 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        6.800  -1.487   2.538  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        5.753  -0.994   1.703  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.191   1.121   0.081  0.00  0.00    +0.056 C 
ATOM     28  C   LIG    1       -2.447   2.081   1.249  0.00  0.00    +0.016 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -2.459   1.790  -1.285  0.00  0.00    +0.046 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.924   2.060  -1.545  0.00  0.00    -0.047 A 
ATOM     31  C   LIG    1       -4.443   3.354  -1.407  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -5.798   3.600  -1.634  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.646   2.556  -2.002  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -6.139   1.266  -2.144  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.784   1.018  -1.917  0.00  0.00    +0.003 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  10  27
TORSDOF 5