REMARK  Name = BDB012291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.305  -1.332  -1.470  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1        0.690  -1.584  -0.523  0.00  0.00    -0.214 N 
ATOM      3  N   LIG    1        1.114  -2.885  -0.586  0.00  0.00    -0.173 NA
ATOM      4  C   LIG    1        0.408  -3.426  -1.576  0.00  0.00    +0.135 A 
ATOM      5  C   LIG    1       -0.476  -2.516  -2.163  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1       -2.655   1.573  -0.942  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -2.375   2.331  -2.090  0.00  0.00    +0.083 A 
ATOM      8 CL   LIG    1       -3.183   3.829  -2.402  0.00  0.00    -0.080 Cl
ATOM      9  C   LIG    1       -1.428   1.896  -3.021  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.746   0.697  -2.814  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -1.007  -0.068  -1.673  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.971   0.366  -0.749  0.00  0.00    +0.057 A 
BRANCH   6  14
ATOM     13  C   LIG    1       -3.793   1.397   1.151  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -3.601   2.073  -0.085  0.00  0.00    -0.494 OA
ENDBRANCH   6  14
ENDBRANCH   1  11
BRANCH   2  15
ATOM     15  C   LIG    1        1.290  -0.682   0.420  0.00  0.00    +0.155 A 
ATOM     16  N   LIG    1        0.919   0.624   0.422  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1        1.491   1.453   1.322  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1        2.447   1.046   2.229  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        2.838  -0.289   2.203  0.00  0.00    +0.064 A 
ATOM     20  C   LIG    1        2.247  -1.177   1.303  0.00  0.00    +0.063 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.854  -0.737   3.179  0.00  0.00    +0.337 C 
ATOM     22  O   LIG    1        3.921  -0.285   4.309  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.718  -1.648   2.687  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1        4.657  -1.817   1.728  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   2  15
TORSDOF 5