REMARK  Name = BDB060628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.318  -0.088  -0.828  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.405   0.753  -0.168  0.00  0.00    -0.237 N 
ATOM      3  C   LIG    1        2.990   0.543  -0.025  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.273   1.246   0.965  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        0.895   1.018   1.154  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        0.188   0.133   0.338  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        0.876  -0.513  -0.681  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        2.962   2.237   1.864  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        4.086   2.902   1.097  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1        2.253  -0.305  -0.860  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        5.036   1.834   0.588  0.00  0.00    +0.117 C 
ATOM     12  O   LIG    1        6.510   0.190  -0.951  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -1.191  -0.024   0.593  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -1.554   0.520   1.363  0.00  0.00    +0.155 HD
ATOM     15  C   LIG    1       -2.075  -0.879  -0.047  0.00  0.00    +0.221 C 
ATOM     16  O   LIG    1       -1.772  -1.712  -0.896  0.00  0.00    -0.275 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.511  -0.760   0.478  0.00  0.00    +0.093 C 
ATOM     18  C   LIG    1       -4.463  -1.754  -0.223  0.00  0.00    +0.113 C 
ATOM     19  C   LIG    1       -5.875  -1.682   0.378  0.00  0.00    +0.042 C 
ATOM     20  C   LIG    1       -6.346  -0.280   0.641  0.00  0.00    -0.030 C 
ATOM     21  C   LIG    1       -5.528   0.781   0.652  0.00  0.00    -0.030 C 
ATOM     22  C   LIG    1       -4.043   0.685   0.453  0.00  0.00    +0.040 C 
BRANCH  18  23
ATOM     23  C   LIG    1       -4.563  -1.634  -1.732  0.00  0.00    +0.309 C 
ATOM     24  O   LIG    1       -5.052  -2.479  -2.467  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.117  -0.480  -2.254  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.223  -0.610  -3.220  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH  15  17
ENDBRANCH   6  13
BRANCH   1  28
ATOM     27  C   LIG    1        5.752  -2.137  -1.891  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        4.806  -1.270  -1.266  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
TORSDOF 5