REMARK  Name = BDB052910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.371   0.964  -0.674  0.00  0.00    +0.150 C 
ATOM      2  C   LIG    1       -1.653   1.148   0.149  0.00  0.00    +0.174 C 
ATOM      3  N   LIG    1       -2.595   0.078  -0.124  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.616  -0.582  -1.331  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -3.576  -1.482  -1.329  0.00  0.00    -0.211 NA
ATOM      6  C   LIG    1       -4.162  -1.415  -0.089  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1       -5.224  -2.163   0.438  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -5.651  -1.899   1.745  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.034  -0.908   2.512  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.973  -0.150   2.003  0.00  0.00    +0.028 A 
ATOM     11  N   LIG    1       -1.771  -0.259  -2.339  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1       -3.563  -0.435   0.696  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1       -0.733   0.468  -2.064  0.00  0.00    +0.034 C 
ATOM     14  C   LIG    1        0.206   0.797  -3.199  0.00  0.00    +0.062 C 
ENDROOT
BRANCH   2  15
ATOM     15  C   LIG    1       -2.279   2.482  -0.143  0.00  0.00    +0.129 A 
ATOM     16  O   LIG    1       -1.654   3.559   0.421  0.00  0.00    -0.466 OA
ATOM     17  C   LIG    1       -2.350   4.665   0.050  0.00  0.00    +0.195 A 
ATOM     18  C   LIG    1       -3.408   4.319  -0.755  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -3.363   2.911  -0.885  0.00  0.00    +0.047 A 
ENDBRANCH   2  15
BRANCH   1  22
ATOM     20  N   LIG    1        1.898   0.150  -0.396  0.00  0.00    -0.285 N 
ATOM     21  H   LIG    1        2.104   0.887  -1.058  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        0.586   0.017   0.036  0.00  0.00    +0.228 C 
ATOM     23  O   LIG    1        0.193  -0.752   0.905  0.00  0.00    -0.275 OA
BRANCH  20  27
ATOM     24  C   LIG    1        5.359  -2.005   0.740  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        4.119  -2.363   1.270  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        2.955  -1.671   0.915  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        3.017  -0.603   0.022  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        4.262  -0.247  -0.512  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1        5.426  -0.941  -0.156  0.00  0.00    +0.047 A 
BRANCH  24  31
ATOM     30  C   LIG    1        7.692  -2.448   0.648  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        6.409  -2.764   1.172  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  20  27
ENDBRANCH   1  22
TORSDOF 4