REMARK  Name = BDB012835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.470   1.118   1.792  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.333  -0.175   1.963  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.532   0.002   1.158  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.473  -1.011   1.080  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.351  -2.034   1.752  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.696   1.398   0.769  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.641   2.153   1.572  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -1.558   1.879  -2.930  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -1.987   1.360  -1.590  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -1.105   1.475  -0.569  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -1.467   1.015   0.653  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -2.710   0.431   0.882  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -3.614   0.324  -0.174  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -3.244   0.791  -1.434  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -4.913  -0.286   0.020  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -5.856   0.097   0.961  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1       -5.859   1.175   1.983  0.00  0.00    +0.066 C 
ATOM     18  N   LIG    1       -6.917  -0.760   0.780  0.00  0.00    -0.271 N 
ATOM     19  C   LIG    1       -8.153  -0.798   1.527  0.00  0.00    +0.172 C 
ATOM     20  N   LIG    1       -6.742  -1.629  -0.232  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1       -5.523  -1.342  -0.691  0.00  0.00    +0.143 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  22
ATOM     22  C   LIG    1        3.593  -0.820   0.195  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1        3.547  -0.242  -1.042  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1        2.733   0.122  -1.524  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1        4.734  -0.184  -1.668  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1        5.568  -0.824  -0.838  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        4.897  -1.255   0.330  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1        7.016  -1.020  -1.185  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1        7.189  -1.869  -2.446  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1        7.752   0.314  -1.328  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 4