REMARK  Name = BDB011274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.066  -0.858  -0.130  0.00  0.00    +0.054 A 
ATOM      2  N   LIG    1        1.231  -0.025   0.622  0.00  0.00    -0.339 N 
ATOM      3  C   LIG    1       -0.051  -0.403   0.350  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -1.410   0.033   0.752  0.00  0.00    +0.154 C 
ATOM      5  N   LIG    1       -2.201  -0.955  -0.028  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -1.416  -1.861  -0.758  0.00  0.00    +0.249 C 
ATOM      7  O   LIG    1       -1.781  -2.801  -1.444  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.060  -1.465  -0.504  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        1.261  -1.776  -0.813  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.742   1.464   0.381  0.00  0.00    -0.021 A 
ATOM     11  C   LIG    1       -2.189   2.356   1.371  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.498   3.680   1.050  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -2.365   4.125  -0.263  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1       -2.743   5.757  -0.655  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -1.928   3.257  -1.259  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -1.620   1.933  -0.939  0.00  0.00    +0.007 A 
ENDBRANCH   4  10
BRANCH   1  18
ATOM     17  C   LIG    1        4.195   0.098  -1.048  0.00  0.00    +0.129 A 
ATOM     18  C   LIG    1        3.526  -0.784  -0.185  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        4.282  -1.669   0.597  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        5.681  -1.636   0.556  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1        6.334  -0.721  -0.277  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        5.591   0.149  -1.076  0.00  0.00    +0.047 A 
BRANCH  17  24
ATOM     23  C   LIG    1        3.366   0.473  -3.158  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        3.492   0.980  -1.829  0.00  0.00    -0.494 OA
ENDBRANCH  17  24
BRANCH  20  25
ATOM     25  C   LIG    1        6.443  -2.534   1.374  0.00  0.00    +0.099 C 
ATOM     26  N   LIG    1        7.062  -3.257   2.038  0.00  0.00    -0.191 NA
ENDBRANCH  20  25
ENDBRANCH   1  18
BRANCH   5  27
ATOM     27  C   LIG    1       -3.648  -1.074   0.135  0.00  0.00    +0.082 C 
ATOM     28  C   LIG    1       -4.397  -0.984  -1.194  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1       -5.905  -1.016  -0.956  0.00  0.00    +0.161 C 
ATOM     30  O   LIG    1       -6.269  -1.666   0.265  0.00  0.00    -0.380 OA
ATOM     31  C   LIG    1       -5.452  -2.800   0.539  0.00  0.00    +0.161 C 
ATOM     32  C   LIG    1       -4.043  -2.345   0.900  0.00  0.00    +0.050 C 
ENDBRANCH   5  27
BRANCH   2  33
ATOM     33  C   LIG    1        1.586   1.040   1.559  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1        2.067   2.313   0.866  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1        2.540   0.599   2.668  0.00  0.00    +0.030 C 
ENDBRANCH   2  33
TORSDOF 6