REMARK  Name = BDB030627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.862  -1.024  -0.016  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -1.565   0.175  -0.888  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1       -0.506   1.156  -0.512  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        0.728   0.387  -0.504  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        1.915   1.013  -0.142  0.00  0.00    +0.267 C 
ATOM      6  O   LIG    1        1.902   2.189   0.234  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.563  -0.977  -0.997  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1       -0.912  -1.128  -1.188  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -6.889  -2.144  -0.094  0.00  0.00    +0.090 C 
ATOM     10  C   LIG    1       -5.415  -2.062  -0.124  0.00  0.00    +0.144 A 
ATOM     11  C   LIG    1       -4.495  -1.073   0.158  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -3.257  -1.698  -0.115  0.00  0.00    +0.097 A 
ATOM     13  N   LIG    1       -3.397  -2.971  -0.491  0.00  0.00    -0.082 NA
ATOM     14  O   LIG    1       -4.763  -3.196  -0.505  0.00  0.00    -0.359 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -4.833   0.264   0.600  0.00  0.00    +0.076 A 
ATOM     16  N   LIG    1       -5.923   0.825   0.022  0.00  0.00    -0.255 NA
ATOM     17  C   LIG    1       -6.252   2.078   0.405  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -5.547   2.806   1.349  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -4.439   2.212   1.939  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.074   0.921   1.564  0.00  0.00    +0.028 A 
ENDBRANCH  11  15
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  C   LIG    1        3.198   0.274  -0.202  0.00  0.00    +0.147 A 
ATOM     22  N   LIG    1        3.351  -0.997  -0.623  0.00  0.00    -0.169 NA
ATOM     23  N   LIG    1        4.664  -1.241  -0.509  0.00  0.00    -0.281 N 
ATOM     24  H   LIG    1        5.005  -2.159  -0.777  0.00  0.00    +0.189 HD
ATOM     25  C   LIG    1        5.387  -0.186  -0.031  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        4.462   0.814   0.176  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1        6.869  -0.251   0.169  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1        7.231  -0.045   1.640  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1        7.586   0.772  -0.713  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   5  21
TORSDOF 4