REMARK  Name = BDB012499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.606   1.815  -0.221  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1        1.328   1.443  -0.472  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.244   0.729   0.238  0.00  0.00    +0.159 C 
ATOM      4  N   LIG    1       -0.868   0.875  -0.773  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.417   1.546  -1.951  0.00  0.00    +0.254 C 
ATOM      6  O   LIG    1       -1.016   1.833  -2.974  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        0.957   1.892  -1.703  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.045   2.559  -2.287  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1        2.085   3.204  -3.622  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1        3.058   2.505  -1.335  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.176   0.445  -0.528  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.579  -0.012   0.678  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -3.892  -0.432   0.868  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -4.858  -0.407  -0.118  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -5.995  -0.851   0.369  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -5.790  -1.182   1.688  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -4.482   0.062  -1.415  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -5.455   0.112  -2.564  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.529  -0.936   1.982  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -3.874  -1.158   3.289  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -3.197   0.462  -1.588  0.00  0.00    +0.032 A 
ENDBRANCH   4  11
BRANCH   3  22
ATOM     22  C   LIG    1        0.584  -0.720   0.552  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1        0.737  -1.680  -0.464  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        1.046  -3.006  -0.153  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        1.212  -3.384   1.176  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        1.604  -5.014   1.560  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        1.069  -2.449   2.198  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        0.759  -1.122   1.887  0.00  0.00    +0.007 A 
ENDBRANCH   3  22
BRANCH   1  29
ATOM     29  C   LIG    1        3.370   1.644   1.004  0.00  0.00    +0.149 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.489   0.614   0.873  0.00  0.00    +0.181 C 
BRANCH  30  32
ATOM     31  C   LIG    1        4.931  -1.705   0.837  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1        3.954  -0.697   1.057  0.00  0.00    -0.381 OA
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 5