REMARK  Name = BDB004623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.588  -0.341   0.377  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.481   0.385  -0.440  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.849   0.071  -0.314  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.756   0.775  -1.135  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.315   1.762  -2.038  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        2.970   2.074  -2.140  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        4.254  -0.869   0.569  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        3.322  -1.472   1.316  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.060   1.391  -1.345  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        2.011  -1.253   1.264  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        6.234   0.537  -1.115  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.996   1.165  -1.843  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        6.732  -0.402  -0.262  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        6.116  -0.919   0.359  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        7.728  -0.559  -0.230  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1        0.203  -0.083   0.283  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.086  -0.197  -0.686  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -0.640  -0.915   1.135  0.00  0.00    +0.142 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -4.053   0.725   1.606  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -2.722   0.348   1.786  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1       -2.089  -0.543   0.900  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -2.807  -1.044  -0.200  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -4.141  -0.664  -0.377  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -4.761   0.212   0.523  0.00  0.00    +0.049 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -5.885   2.016   2.401  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.536   1.589   2.549  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
BRANCH  22  27
ATOM     27  O   LIG    1       -2.112  -1.873  -1.041  0.00  0.00    -0.495 OA
ATOM     28  C   LIG    1       -2.832  -2.473  -2.111  0.00  0.00    +0.277 C 
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6