REMARK  Name = BDB001029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.806  -0.471   0.195  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.877   0.469  -0.259  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.529   0.230  -0.032  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1       -0.649   1.084  -0.422  0.00  0.00    +0.073 C 
ATOM      5  C   LIG    1       -1.784   0.256   0.116  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1       -3.212   0.544   0.057  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1       -4.104  -0.385   0.633  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -5.484  -0.159   0.606  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -5.983   0.995   0.003  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.107   1.919  -0.570  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.567  -1.623   1.280  0.00  0.00    +0.257 A 
ATOM     12  O   LIG    1       -4.305  -2.457   1.794  0.00  0.00    -0.267 OA
ATOM     13  N   LIG    1       -2.195  -1.779   1.270  0.00  0.00    -0.321 N 
ATOM     14  H   LIG    1       -1.833  -2.616   1.706  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1       -3.726   1.697  -0.544  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -1.361  -0.869   0.708  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1        0.088  -0.924   0.636  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        0.993  -1.863   1.091  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        2.356  -1.630   0.866  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  22
ATOM     20  O   LIG    1        4.414   1.694  -1.120  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        4.886   0.695  -0.590  0.00  0.00    +0.243 C 
ATOM     22  N   LIG    1        4.195  -0.336   0.024  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        4.787  -1.076   0.394  0.00  0.00    +0.155 HD
BRANCH  21  24
ATOM     24  C   LIG    1        6.397   0.441  -0.569  0.00  0.00    +0.251 C 
BRANCH  24  25
ATOM     25  O   LIG    1        6.795  -0.392   0.516  0.00  0.00    -0.386 OA
ATOM     26  H   LIG    1        6.772   0.168   1.314  0.00  0.00    +0.210 HD
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   1  22
TORSDOF 3