REMARK  Name = BDB030243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.737  -0.927  -0.501  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -0.712  -0.695  -1.587  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1        0.748  -0.650  -1.269  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        0.892   0.504  -0.385  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        2.061   0.956   0.207  0.00  0.00    +0.266 C 
ATOM      6  O   LIG    1        2.054   1.964   0.919  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -0.337   1.261  -0.215  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1       -1.373   0.473  -0.942  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -6.768  -1.861  -1.068  0.00  0.00    +0.090 C 
ATOM     10  C   LIG    1       -5.294  -1.789  -1.056  0.00  0.00    +0.142 A 
ATOM     11  C   LIG    1       -4.368  -0.939  -0.490  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.129  -1.496  -0.881  0.00  0.00    +0.095 A 
ATOM     13  N   LIG    1       -3.276  -2.593  -1.627  0.00  0.00    -0.082 NA
ATOM     14  O   LIG    1       -4.645  -2.772  -1.741  0.00  0.00    -0.359 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -4.681   0.220   0.318  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1       -5.483   1.248  -0.194  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -5.765   2.374   0.584  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -5.247   2.478   1.874  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.447   1.460   2.389  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -4.163   0.334   1.613  0.00  0.00    +0.008 A 
ENDBRANCH  11  15
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  C   LIG    1        3.314   0.217  -0.024  0.00  0.00    +0.143 A 
ATOM     22  N   LIG    1        3.471  -0.906  -0.823  0.00  0.00    -0.231 NA
ATOM     23  C   LIG    1        4.741  -1.233  -0.746  0.00  0.00    +0.200 A 
ATOM     24  N   LIG    1        5.429  -0.377   0.065  0.00  0.00    -0.334 N 
ATOM     25  C   LIG    1        4.540   0.549   0.530  0.00  0.00    +0.120 A 
BRANCH  24  26
ATOM     26  C   LIG    1        6.853  -0.454   0.365  0.00  0.00    +0.082 C 
ATOM     27  C   LIG    1        7.601   0.783  -0.133  0.00  0.00    +0.030 C 
ATOM     28  C   LIG    1        7.102  -0.694   1.854  0.00  0.00    +0.030 C 
ENDBRANCH  24  26
ENDBRANCH   5  21
TORSDOF 4