REMARK  Name = BDB062447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.509  -1.148   1.313  0.00  0.00    +0.062 A 
ATOM      2  N   LIG    1        1.130  -0.926   1.119  0.00  0.00    -0.236 N 
ATOM      3  N   LIG    1        0.553  -0.487   2.268  0.00  0.00    -0.174 NA
ATOM      4  C   LIG    1        1.404  -0.847   3.218  0.00  0.00    +0.150 A 
ATOM      5  C   LIG    1        2.641  -1.277   2.701  0.00  0.00    +0.100 A 
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1        7.613   1.997   1.165  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        6.229   2.224   0.609  0.00  0.00    +0.212 C 
ATOM      8  N   LIG    1        5.414   1.101   0.450  0.00  0.00    -0.302 N 
ATOM      9  C   LIG    1        5.660  -0.145   1.172  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        4.995  -1.351   0.514  0.00  0.00    +0.029 C 
ATOM     11  C   LIG    1        3.514  -1.147   0.162  0.00  0.00    +0.042 C 
ATOM     12  C   LIG    1        3.427   0.145  -0.679  0.00  0.00    +0.029 C 
ATOM     13  C   LIG    1        4.036   1.346   0.037  0.00  0.00    +0.108 C 
ATOM     14  O   LIG    1        5.865   3.361   0.307  0.00  0.00    -0.276 OA
ENDBRANCH   1  11
BRANCH   2  15
ATOM     15  C   LIG    1        0.306  -1.074  -0.037  0.00  0.00    +0.066 A 
ATOM     16  C   LIG    1       -0.886  -0.329  -0.121  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1       -1.740  -0.429  -1.234  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -1.380  -1.317  -2.259  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -0.221  -2.089  -2.168  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        0.616  -1.976  -1.057  0.00  0.00    +0.028 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -2.973   0.372  -1.323  0.00  0.00    -0.017 A 
ATOM     22  C   LIG    1       -4.207  -0.230  -1.618  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -5.376   0.536  -1.695  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -5.330   1.921  -1.518  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -4.115   2.534  -1.222  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.951   1.765  -1.121  0.00  0.00    +0.008 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -6.647  -0.139  -2.039  0.00  0.00    +0.246 C 
ATOM     28  N   LIG    1       -7.763   0.063  -1.228  0.00  0.00    -0.304 N 
ATOM     29  C   LIG    1       -7.704   0.519   0.155  0.00  0.00    +0.132 C 
ATOM     30  C   LIG    1       -9.032  -0.492  -1.662  0.00  0.00    +0.132 C 
ATOM     31  O   LIG    1       -6.660  -0.840  -3.049  0.00  0.00    -0.270 OA
ENDBRANCH  23  27
ENDBRANCH  17  21
ENDBRANCH   2  15
BRANCH   5  32
ATOM     32  C   LIG    1        3.769  -1.705   3.502  0.00  0.00    +0.340 C 
ATOM     33  O   LIG    1        4.436  -2.700   3.268  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1        4.039  -0.896   4.558  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        3.498  -0.084   4.574  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH   5  32
TORSDOF 6