REMARK  Name = BDB057031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.247  -2.314   1.260  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        1.578  -1.060   0.501  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1        0.623  -0.058   0.573  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1        0.814   1.079  -0.056  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1        2.042   1.252  -0.818  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1        2.970   0.243  -0.871  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1        4.002   0.706  -1.657  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        3.616   1.983  -2.028  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        2.393   2.320  -1.503  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        2.726  -0.937  -0.194  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        5.323   0.007  -2.071  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        6.290   0.574  -2.869  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1        7.278  -0.359  -2.991  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        8.150  -0.290  -3.507  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1        7.020  -1.497  -2.326  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1        5.827  -1.270  -1.767  0.00  0.00    +0.144 A 
ENDBRANCH   7  11
BRANCH   4  17
ATOM     17  N   LIG    1       -0.095   2.120  -0.029  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1        0.222   2.924  -0.568  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.299   2.225   0.585  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1       -2.245   3.656   0.476  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1       -3.502   3.129   1.411  0.00  0.00    -0.213 NA
ATOM     22  C   LIG    1       -3.257   1.876   1.802  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1       -2.003   1.329   1.365  0.00  0.00    +0.056 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -4.257   1.183   2.674  0.00  0.00    +0.114 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.913   0.141   1.807  0.00  0.00    +0.082 A 
ATOM     26  C   LIG    1       -6.011   0.468   1.016  0.00  0.00    +0.145 A 
ATOM     27  F   LIG    1       -6.530   1.702   1.025  0.00  0.00    -0.204 F 
ATOM     28  C   LIG    1       -6.590  -0.507   0.214  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1       -6.058  -1.792   0.220  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1       -4.968  -2.047   1.038  0.00  0.00    +0.111 A 
ATOM     31  N   LIG    1       -4.388  -1.118   1.832  0.00  0.00    -0.257 NA
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5