REMARK  Name = BDB009004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.798  -1.570   0.280  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.781  -1.243  -0.628  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.348  -2.063  -0.789  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.428  -3.248  -0.049  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.579  -3.582   0.855  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.685  -2.745   1.022  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.987  -0.772   1.198  0.00  0.00    +0.221 C 
ATOM      8  N   LIG    1        2.882  -0.674   0.378  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        2.836   0.136  -0.223  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        4.228  -1.663   2.000  0.00  0.00    -0.275 OA
BRANCH   7  13
ATOM     11  C   LIG    1        5.261   2.875   1.604  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1        4.569   1.783   0.861  0.00  0.00    -0.002 C 
ATOM     13  C   LIG    1        4.983   0.342   1.080  0.00  0.00    +0.078 C 
ATOM     14  C   LIG    1        5.290   1.035  -0.230  0.00  0.00    +0.017 C 
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1       -1.434  -1.711  -1.780  0.00  0.00    +0.092 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.925  -0.270  -1.666  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -2.964   0.080  -0.646  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -3.510  -0.963   0.288  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -4.322  -0.377   1.448  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -5.242   0.739   0.971  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.441   1.865   0.315  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -3.374   1.359  -0.616  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -2.778   2.355  -1.542  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1       -3.115   3.534  -1.530  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -1.828   1.878  -2.403  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1       -1.417   2.541  -3.051  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1       -1.398   0.591  -2.487  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 4