REMARK  Name = BDB004682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.080  -0.752   0.133  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -2.921  -0.570  -0.652  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.700  -0.385   0.026  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.556  -0.187  -0.775  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.607  -0.215  -2.116  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.804  -0.407  -2.663  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -1.659  -0.412   1.443  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.810  -0.598   2.195  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -2.957  -0.572  -2.004  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -4.019  -0.762   1.540  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -5.577  -0.952  -1.809  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -6.491  -1.100  -2.212  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -4.767  -0.843  -2.412  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -5.444  -0.949  -0.453  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -6.432  -1.104   0.258  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.695   0.019  -0.157  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        0.624   0.792   0.498  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.816   0.213  -1.069  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.061   0.486  -0.254  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.639   1.765  -0.230  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        4.784   2.012   0.533  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        5.347   0.981   1.277  0.00  0.00    +0.117 A 
ATOM     23  C   LIG    1        4.786  -0.290   1.271  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.644  -0.538   0.508  0.00  0.00    +0.009 A 
BRANCH  22  25
ATOM     25  O   LIG    1        6.463   1.179   2.036  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1        6.747   2.102   1.934  0.00  0.00    +0.292 HD
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 5