REMARK  Name = BDB025182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.720   0.247   0.076  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.679  -0.694  -0.020  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.985  -2.106  -0.363  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.718  -2.815   0.791  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.764  -2.967  -0.722  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.772  -2.175  -1.541  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.337  -1.005  -0.709  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.993  -0.576  -0.679  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.094  -1.108  -1.323  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.123  -0.355  -0.997  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.739   0.649  -0.125  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.623   0.531   0.075  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.555   1.256   0.821  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.889   0.829   0.780  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.301  -0.280   0.027  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.599   1.445   0.311  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.614   1.667   0.454  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -1.308   3.073  -0.087  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -2.323   4.121   0.405  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.920   3.799   1.781  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -1.966   2.971   2.633  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -1.670   1.614   1.994  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.441   4.351  -0.589  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -3.938   5.429  -0.864  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.925   3.220  -1.135  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.639   3.537  -1.729  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        8.037   0.612  -0.117  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.946  -0.308  -0.171  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.514  -0.568  -1.513  0.00  0.00    +0.080 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.382  -1.367  -0.524  0.00  0.00    +0.022 C 
ATOM     31  C   LIG    1       -3.038  -2.868  -0.538  0.00  0.00    +0.163 C 
ATOM     32  O   LIG    1       -3.926  -3.575  -1.402  0.00  0.00    -0.379 OA
ATOM     33  C   LIG    1       -5.264  -3.614  -0.903  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -5.711  -2.285  -0.297  0.00  0.00    +0.028 C 
ATOM     35  C   LIG    1       -4.872  -1.137  -0.838  0.00  0.00    +0.008 C 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6