REMARK  Name = BDB017468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.602   2.761  -0.103  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        1.836   2.096   1.116  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.825   1.285   1.645  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -0.415   1.123   1.043  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -1.136   0.235   1.905  0.00  0.00    +0.100 A 
ATOM      6  N   LIG    1       -0.374  -0.147   2.945  0.00  0.00    -0.173 NA
ATOM      7  C   LIG    1       -0.660   1.795  -0.169  0.00  0.00    +0.012 A 
ATOM      8  N   LIG    1        0.782   0.510   2.768  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1        1.516   0.379   3.454  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1        0.348   2.605  -0.716  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        4.505  -0.745  -1.177  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        3.790   0.455  -1.311  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        4.441   1.663  -1.113  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        4.002   3.099  -1.178  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        2.668   3.645  -0.709  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1        5.265   3.881  -0.898  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1        6.273   2.960  -0.675  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        7.222   3.231  -0.472  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        5.353   5.097  -0.876  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        2.995   3.569  -2.187  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        5.809   1.649  -0.801  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        6.544   0.491  -0.664  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        5.874  -0.722  -0.854  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1        4.412  -3.124  -1.247  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        3.755  -1.871  -1.389  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1       -2.505  -0.262   1.760  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -3.541   0.585   1.348  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -4.844   0.096   1.208  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.139  -1.247   1.480  0.00  0.00    -0.033 A 
ATOM     30  C   LIG    1       -4.103  -2.088   1.909  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.801  -1.600   2.050  0.00  0.00    +0.010 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -6.551  -1.776   1.330  0.00  0.00    +0.119 C 
BRANCH  32  33
ATOM     33  N   LIG    1       -6.924  -2.321   0.016  0.00  0.00    -0.304 NA
ATOM     34  C   LIG    1       -6.902  -1.327  -1.050  0.00  0.00    +0.104 C 
ATOM     35  C   LIG    1       -6.160  -3.508  -0.353  0.00  0.00    +0.104 C 
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH   5  26
TORSDOF 5