REMARK  Name = BDB016096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.135  -0.282   0.081  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.124   0.183   1.398  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -0.884   0.557   1.884  0.00  0.00    +0.125 A 
ATOM      4  N   LIG    1        0.262   0.490   1.179  0.00  0.00    -0.235 NA
ATOM      5  C   LIG    1        0.159   0.005  -0.070  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -0.999  -0.386  -0.636  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.304   0.266   2.239  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -3.593   1.304   3.102  0.00  0.00    +0.116 A 
ATOM      9  N   LIG    1       -4.786   0.992   3.688  0.00  0.00    -0.274 N 
ATOM     10  C   LIG    1       -5.505   1.771   4.666  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1       -5.299  -0.177   3.267  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1       -4.393  -0.623   2.393  0.00  0.00    +0.143 A 
ENDBRANCH   2   7
BRANCH   5  13
ATOM     13  C   LIG    1        1.392  -0.098  -0.878  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.646   0.294  -0.362  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.827   0.202  -1.116  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        3.753  -0.291  -2.423  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        2.530  -0.687  -2.961  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.366  -0.590  -2.196  0.00  0.00    +0.011 A 
BRANCH  15  19
ATOM     19  C   LIG    1        5.094   0.626  -0.541  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        6.334   0.125  -0.881  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1        7.242   0.779  -0.099  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1        8.672   0.594  -0.087  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        6.685   1.677   0.733  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        5.379   1.579   0.466  0.00  0.00    +0.142 A 
ENDBRANCH  15  19
ENDBRANCH   5  13
BRANCH   1  25
ATOM     25  N   LIG    1       -3.343  -0.696  -0.511  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -4.068  -0.002  -0.336  0.00  0.00    +0.148 HD
BRANCH  25  28
ATOM     27  C   LIG    1       -3.299   0.086  -2.849  0.00  0.00    +0.027 C 
ATOM     28  C   LIG    1       -3.308  -1.122  -1.912  0.00  0.00    +0.066 C 
ATOM     29  C   LIG    1       -4.553  -1.973  -2.171  0.00  0.00    +0.027 C 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 5