REMARK  Name = BDB024694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.035  -2.093   1.137  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.649  -1.093   0.227  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.673  -0.212  -0.386  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.552  -0.987  -1.385  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        5.118   1.015  -1.127  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.943   1.604  -0.382  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.886   0.542  -0.300  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.520   0.840  -0.484  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.926   2.040  -0.785  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.371   1.804  -0.861  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.635   0.477  -0.594  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.566  -0.161  -0.368  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.902  -1.484  -0.076  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.261  -1.769   0.111  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.258  -0.786   0.013  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.289  -2.857   1.740  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.833  -3.095   2.279  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        6.388  -2.116   1.339  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.937  -0.177  -0.570  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.447  -0.400   0.869  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.725  -1.102   1.107  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.844  -0.536   0.323  0.00  0.00    +0.121 C 
ATOM     23  C   LIG    1       -4.758  -1.726  -0.621  0.00  0.00    +0.097 C 
ATOM     24  O   LIG    1       -4.402  -1.567  -2.003  0.00  0.00    -0.371 OA
ATOM     25  C   LIG    1       -5.599  -2.293  -2.392  0.00  0.00    +0.163 C 
ATOM     26  C   LIG    1       -6.044  -2.447  -0.932  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1       -3.820  -2.386   0.378  0.00  0.00    +0.121 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  28
ATOM     28  C   LIG    1       -1.402   2.838  -1.204  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.284   3.246  -0.045  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -1.728   3.621   1.187  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -2.548   4.005   2.249  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.932   4.034   2.087  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.496   3.686   0.862  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -3.677   3.300  -0.202  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 6