REMARK  Name = BDB039114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.675  -2.094   2.112  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.110  -1.065   1.381  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.769  -1.277   0.850  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        3.084  -0.025   0.363  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.745   1.224   0.332  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        3.079   2.373  -0.114  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.755   2.325  -0.560  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        1.113   1.082  -0.535  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.165   0.666  -0.873  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -0.229  -0.707  -0.688  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.915  -1.145  -0.193  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        5.161   1.334   0.841  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.752  -0.068  -0.097  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.897  -0.001   0.769  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.073  -3.106   2.452  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.371  -1.664  -0.930  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -2.292  -1.795   0.294  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -3.655  -2.409  -0.044  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -3.569  -3.391  -1.209  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -3.037  -2.733  -2.486  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -2.173  -1.494  -2.217  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        7.590  -2.897   3.192  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        6.981  -1.862   2.422  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -1.211   1.574  -1.327  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.090   2.094  -0.173  0.00  0.00    +0.147 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.554   2.185  -0.578  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1       -3.961   3.019  -1.632  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.307   3.097  -1.995  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.260   2.346  -1.312  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.870   1.519  -0.261  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.526   1.440   0.107  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  C   LIG    1       -1.600   3.450   0.325  0.00  0.00    +0.314 C 
ATOM     33  O   LIG    1       -0.945   4.244  -0.334  0.00  0.00    -0.250 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -2.003   3.740   1.585  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -2.600   3.077   1.980  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  25  32
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7