REMARK  Name = BDB024543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.730  -0.781   0.822  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.822  -0.369  -0.172  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -5.434   0.401  -1.271  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.825   1.812  -0.800  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -4.569   0.454  -2.528  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -3.195   0.990  -2.190  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.582   0.154  -1.103  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.174   0.037  -1.030  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.222   0.637  -1.808  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        0.952   0.241  -1.350  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1        0.786  -0.664  -0.316  0.00  0.00    -0.322 N 
ATOM     12  C   LIG    1       -0.578  -0.778  -0.082  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -1.338  -1.511   0.829  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.733  -1.371   0.765  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.383  -0.522  -0.145  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -6.949  -0.782   0.658  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.791  -1.397   0.450  0.00  0.00    +0.115 C 
ATOM     18  C   LIG    1        2.838  -2.161  -0.380  0.00  0.00    +0.185 C 
ATOM     19  O   LIG    1        4.101  -1.495  -0.398  0.00  0.00    -0.372 OA
ATOM     20  C   LIG    1        4.715  -1.340   0.898  0.00  0.00    +0.144 C 
ATOM     21  C   LIG    1        3.705  -1.210   2.043  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1        2.422  -0.549   1.561  0.00  0.00    +0.030 C 
BRANCH  20  23
ATOM     23  C   LIG    1        5.702  -2.491   1.125  0.00  0.00    +0.187 C 
BRANCH  23  24
ATOM     24  O   LIG    1        6.664  -2.515   0.072  0.00  0.00    -0.392 OA
ATOM     25  H   LIG    1        6.163  -2.348  -0.750  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  27
ATOM     26  C   LIG    1       -6.108  -1.460   3.039  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1       -5.171  -1.110   2.019  0.00  0.00    -0.453 OA
ENDBRANCH   1  27
BRANCH  10  28
ATOM     28  C   LIG    1        2.248   0.741  -1.922  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.901   1.859  -1.139  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1        2.152   2.932  -0.631  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        2.776   3.968   0.068  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.157   3.954   0.252  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.916   2.909  -0.269  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        4.294   1.873  -0.967  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 6