REMARK  Name = BDB062947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.889  -1.383   1.796  0.00  0.00    -0.295 N 
ATOM      2  C   LIG    1       -2.135  -1.356   1.162  0.00  0.00    +0.226 C 
ATOM      3  O   LIG    1       -2.851  -2.365   1.256  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -0.493  -2.661   2.386  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.700  -0.079   0.428  0.00  0.00    +0.072 C 
ATOM      6  C   LIG    1       -1.797   0.501  -0.687  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -2.116   1.992  -0.701  0.00  0.00    +0.001 C 
ATOM      8  C   LIG    1       -2.351   2.358   0.755  0.00  0.00    +0.001 C 
ATOM      9  C   LIG    1       -2.790   1.076   1.467  0.00  0.00    +0.021 C 
BRANCH   5  10
ATOM     10  C   LIG    1       -4.064  -0.385  -0.278  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1       -5.208   0.425  -0.155  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -6.389   0.126  -0.845  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.453  -0.982  -1.683  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.334  -1.790  -1.839  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.155  -1.490  -1.152  0.00  0.00    +0.004 A 
ENDBRANCH   5  10
ENDBRANCH   2   5
BRANCH   1  16
ATOM     16  C   LIG    1        0.190  -0.392   1.720  0.00  0.00    +0.203 C 
BRANCH  16  19
ATOM     17  N   LIG    1        2.405   0.108   0.863  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        2.357   0.801   1.599  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        1.307  -0.732   0.712  0.00  0.00    +0.235 C 
ATOM     20  O   LIG    1        1.184  -1.618  -0.126  0.00  0.00    -0.274 OA
BRANCH  17  24
ATOM     21  C   LIG    1        6.037   0.246  -1.302  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        5.067  -0.697  -1.642  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        3.855  -0.769  -0.945  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        3.595   0.106   0.107  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        4.570   1.053   0.448  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        5.783   1.124  -0.251  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1        8.189   1.149  -1.756  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        7.171   0.205  -2.063  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  17  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6