REMARK  Name = BDB012188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.699  -2.830  -1.941  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.297  -1.687  -2.166  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.048  -1.251  -1.741  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -0.720  -2.119  -0.850  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -1.595  -1.318   0.104  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.602  -0.460  -0.671  0.00  0.00    +0.095 C 
ATOM      7  C   LIG    1       -2.005   0.120  -1.969  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.480   0.094  -1.984  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1       -3.191   0.557   0.187  0.00  0.00    -0.289 N 
ATOM     10  C   LIG    1       -4.385   0.406   0.917  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1       -4.528   1.530   1.732  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1       -5.596   1.702   2.583  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -6.556   0.687   2.603  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -6.419  -0.456   1.787  0.00  0.00    +0.002 A 
ATOM     15  N   LIG    1       -3.432   2.357   1.532  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1       -3.229   3.224   2.000  0.00  0.00    +0.170 HD
ATOM     17  C   LIG    1       -5.320  -0.607   0.931  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -2.571   1.759   0.601  0.00  0.00    +0.328 A 
ATOM     19  O   LIG    1       -1.499   2.215   0.241  0.00  0.00    -0.247 OA
ENDBRANCH   6   9
BRANCH   2  20
ATOM     20  C   LIG    1        2.180  -0.665  -2.866  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.626  -1.119  -3.097  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.413  -1.610  -1.875  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.081  -0.869  -0.603  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1        3.186  -1.491   0.227  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        2.751  -2.364  -0.059  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        2.684  -0.912   1.363  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1        1.801  -1.436   2.033  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        3.264   0.396   1.711  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1        4.207   0.937   0.831  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        4.772   2.176   1.140  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        4.400   2.858   2.303  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        3.455   2.306   3.169  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        2.881   1.069   2.875  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1        4.595   0.291  -0.356  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 5