REMARK  Name = BDB019561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.245  -1.571   0.080  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.859  -1.758  -0.008  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.024  -0.808   0.516  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.475   0.328   1.164  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.858   0.545   1.257  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -2.730  -0.415   0.718  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.693  -1.149  -2.511  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -3.869  -2.387  -1.677  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.170  -2.568  -0.470  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.385  -3.771   0.220  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.265  -4.722  -0.286  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1       -4.911  -4.442  -1.473  0.00  0.00    +0.213 A 
ATOM     13  F   LIG    1       -5.766  -5.350  -1.964  0.00  0.00    -0.184 F 
ATOM     14  N   LIG    1       -4.738  -3.305  -2.175  0.00  0.00    -0.224 NA
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        1.485  -1.051   0.387  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1        2.265   0.073   0.236  0.00  0.00    -0.308 N 
ATOM     17  H   LIG    1        1.825   0.963   0.054  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        1.912  -2.198   0.390  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.694  -0.005   0.013  0.00  0.00    +0.079 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.062   0.148  -1.443  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1        3.208  -0.384  -2.571  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        3.354   1.101  -2.380  0.00  0.00    +0.006 C 
ENDBRANCH  19  20
BRANCH  19  23
ATOM     23  C   LIG    1        4.338   1.084   0.835  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1        4.497   0.919   2.327  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        5.708   0.883   1.436  0.00  0.00    +0.006 C 
ENDBRANCH  19  23
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  26
ATOM     26  C   LIG    1       -2.410   1.766   1.955  0.00  0.00    +0.157 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -1.859   2.997   1.413  0.00  0.00    -0.332 N 
ATOM     28  C   LIG    1       -2.100   3.502   0.167  0.00  0.00    +0.199 A 
ATOM     29  N   LIG    1       -1.451   4.628  -0.026  0.00  0.00    -0.244 NA
ATOM     30  C   LIG    1       -0.783   4.868   1.146  0.00  0.00    +0.130 A 
ATOM     31  C   LIG    1       -1.024   3.867   2.059  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7