REMARK  Name = BDB036845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.104  -2.813  -1.872  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.454  -1.749  -1.119  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.120  -1.960  -0.727  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1        0.409  -3.067  -0.880  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.741  -0.888  -0.108  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.317   0.398  -0.126  0.00  0.00    -0.250 NA
ATOM      7  C   LIG    1        1.136   1.328   0.423  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1        2.372   1.052   1.008  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        2.794  -0.289   1.017  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1        4.034  -0.612   1.593  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.839   0.382   2.152  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.417   1.710   2.143  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.189   2.047   1.573  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        1.965  -1.264   0.447  0.00  0.00    +0.041 A 
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -2.305  -0.581  -0.818  0.00  0.00    +0.163 C 
ATOM     16  C   LIG    1       -1.948   0.668  -1.642  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.461   0.623  -2.772  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1       -2.293   1.880  -1.092  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -1.943   2.684  -1.594  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -2.730   2.110   0.186  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1       -2.680   3.230   0.684  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -3.325   0.925   0.906  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1       -2.506  -0.333   0.679  0.00  0.00    +0.041 C 
ENDBRANCH   2  15
TORSDOF 2