REMARK  Name = BDB024606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.427   1.002   0.881  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.501  -0.054   0.808  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.004  -1.428   0.602  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.171  -1.733  -0.892  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.152  -2.463   1.328  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.720  -2.403   0.851  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.199  -0.995   0.866  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.799  -0.784   0.877  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.205  -1.711   0.898  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.347  -1.045   0.916  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.112   0.319   0.875  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.270   0.493   0.875  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.089   1.620   0.870  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.477   1.411   0.848  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.062   0.134   0.845  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.186   2.178   1.129  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.013   1.456   0.868  0.00  0.00    +0.094 C 
ATOM     18  C   LIG    1       -2.045   2.266  -0.444  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1       -3.359   3.073  -0.409  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -4.090   2.680  -1.689  0.00  0.00    +0.084 C 
ATOM     21  N   LIG    1       -3.007   2.268  -2.578  0.00  0.00    -0.315 NA
ATOM     22  H   LIG    1       -3.368   1.707  -3.349  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -4.076   2.667   0.876  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -2.128   1.458  -1.734  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1       -3.496   1.296   1.213  0.00  0.00    +0.026 C 
ENDBRANCH  11  17
BRANCH   1  27
ATOM     26  C   LIG    1        7.697   1.614   0.709  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        6.710   0.583   0.647  0.00  0.00    -0.453 OA
ENDBRANCH   1  27
BRANCH  10  28
ATOM     28  C   LIG    1       -2.665  -1.760   0.991  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.329  -2.022  -0.346  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -2.590  -2.469  -1.453  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.217  -2.727  -2.673  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.594  -2.561  -2.799  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.346  -2.148  -1.701  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.720  -1.891  -0.480  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 4