REMARK  Name = BDB024592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.558   0.348  -0.087  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.462   0.750   0.697  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.740   1.741   1.758  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.540   1.118   2.914  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.496   2.417   2.357  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.458   2.672   1.286  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.082   1.341   0.702  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.746   1.006   0.402  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.388   1.752   0.576  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.395   1.022   0.131  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.945  -0.218  -0.289  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.435  -0.232  -0.143  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.420  -1.190  -0.404  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.747  -0.846  -0.113  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.099   0.404   0.414  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.721   0.653   0.166  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.332  -0.713  -2.036  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        5.226  -0.358  -1.207  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.722  -1.360  -0.783  0.00  0.00    +0.090 C 
ATOM     20  C   LIG    1       -2.545  -1.002  -2.026  0.00  0.00    +0.031 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -2.538  -2.078   0.334  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1       -1.619  -2.562   1.478  0.00  0.00    +0.086 C 
ATOM     23  N   LIG    1       -2.352  -3.282   2.522  0.00  0.00    -0.316 NA
ATOM     24  H   LIG    1       -3.028  -2.653   2.956  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -3.048  -4.447   1.984  0.00  0.00    +0.081 C 
ATOM     26  C   LIG    1       -4.034  -4.047   0.893  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -3.340  -3.271  -0.223  0.00  0.00    +0.008 C 
ENDBRANCH  19  21
ENDBRANCH  11  19
BRANCH  10  28
ATOM     28  C   LIG    1       -2.813   1.517   0.118  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.218   2.271  -1.135  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -4.524   2.141  -1.634  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.930   2.848  -2.768  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.041   3.707  -3.410  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.750   3.867  -2.912  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.344   3.160  -1.778  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 5