REMARK  Name = BDB020606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.431  -2.336  -0.524  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -1.090  -1.022  -0.617  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -0.182   0.148  -0.902  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -2.448  -0.960  -0.487  0.00  0.00    +0.034 A 
ATOM      5  N   LIG    1       -3.157  -2.190  -0.356  0.00  0.00    -0.319 N 
ATOM      6  C   LIG    1       -2.535  -3.438  -0.320  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -3.493  -4.421  -0.197  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -4.747  -3.782  -0.165  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -4.519  -2.427  -0.271  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1       -1.120  -3.483  -0.397  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        1.614  -2.029   0.661  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        1.024  -1.582   1.356  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        1.051  -2.492  -0.500  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        1.667  -2.989  -1.433  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        3.042  -1.891   0.831  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1        4.337   3.739   0.145  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1        4.047   2.273   0.230  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1        3.432   1.821   1.369  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        3.185   2.469   2.107  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        3.088   0.513   1.600  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1        2.518   0.177   2.634  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1        3.427  -0.473   0.521  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.038  -0.021  -0.597  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1        4.432  -0.863  -1.780  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        4.351   1.395  -0.738  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1       -3.269   0.341  -0.463  0.00  0.00    +0.063 C 
ATOM     27  C   LIG    1       -3.612   0.765  -1.899  0.00  0.00    +0.019 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -2.698   1.434   0.448  0.00  0.00    -0.039 A 
ATOM     29  C   LIG    1       -2.447   1.132   1.800  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.931   2.093   2.671  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.671   3.380   2.212  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.930   3.706   0.883  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.443   2.743   0.009  0.00  0.00    +0.004 A 
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 5