REMARK  Name = BDB024699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.680  -1.488   0.114  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.930  -0.309   0.267  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.641   0.855   0.839  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.649   1.443  -0.162  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.733   1.998   1.321  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.470   1.450   1.950  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.761   0.646   0.899  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.364   0.709   0.723  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.434   1.450   1.411  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.738   1.165   0.876  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.589   0.256  -0.152  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.750  -0.053  -0.261  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.466  -0.901  -1.107  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.853  -0.966  -0.918  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.510  -0.226   0.077  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.897  -1.543   0.277  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.692  -3.808  -0.260  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.939  -2.599  -0.164  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.642  -0.292  -0.992  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.270  -1.549  -0.373  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.266  -2.199  -1.249  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1       -3.637  -3.532  -0.719  0.00  0.00    +0.099 C 
ATOM     23  C   LIG    1       -4.562  -3.499   0.520  0.00  0.00    +0.096 C 
ATOM     24  N   LIG    1       -5.784  -2.704   0.309  0.00  0.00    -0.314 NA
ATOM     25  H   LIG    1       -6.335  -3.168  -0.414  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -5.426  -1.365  -0.183  0.00  0.00    +0.096 C 
ATOM     27  C   LIG    1       -4.500  -1.401  -1.421  0.00  0.00    +0.099 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  28
ATOM     28  C   LIG    1       -2.046   1.736   1.342  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.686   2.720   0.387  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -1.935   3.735  -0.225  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -2.543   4.644  -1.092  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.910   4.559  -1.346  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.673   3.571  -0.727  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.067   2.661   0.140  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 6