REMARK  Name = BDB018358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.143  -6.002  -0.217  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.422  -4.589  -0.014  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        2.719  -4.122  -0.174  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        3.684  -4.811  -0.489  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        2.914  -2.671   0.057  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        1.901  -1.859   0.415  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1        0.555  -2.443   0.608  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.387  -3.760   0.376  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.148  -0.454   0.585  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.444   0.580   0.011  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        2.006   1.734   0.481  0.00  0.00    -0.260 N 
ATOM     12  N   LIG    1        3.061   1.517   1.296  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        3.147   0.184   1.352  0.00  0.00    +0.143 A 
BRANCH  11  14
ATOM     14  C   LIG    1        1.515   3.080   0.268  0.00  0.00    +0.263 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.198   3.774  -0.870  0.00  0.00    +0.326 C 
ATOM     16  O   LIG    1        2.499   4.960  -0.899  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1        2.382   3.019  -1.972  0.00  0.00    -0.479 OA
ATOM     18  H   LIG    1        2.834   3.619  -2.603  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1       -0.552  -1.652   1.050  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -1.642  -1.285   0.294  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1       -2.376  -0.445   1.087  0.00  0.00    -0.267 N 
ATOM     22  N   LIG    1       -1.890  -0.336   2.343  0.00  0.00    -0.179 NA
ATOM     23  C   LIG    1       -0.758  -1.046   2.305  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.556   0.310   0.692  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.171   1.634   0.077  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1       -3.088   1.784  -1.315  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.714   3.008  -1.874  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.419   4.093  -1.049  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.491   3.954   0.336  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.859   2.730   0.896  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 7