REMARK  Name = BDB059546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.899   0.741  -0.500  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1       -1.834   0.656  -1.520  0.00  0.00    +0.088 A 
ATOM      3  N   LIG    1       -3.137   0.413  -1.109  0.00  0.00    -0.243 NA
ATOM      4  C   LIG    1       -3.183   0.247   0.196  0.00  0.00    +0.083 A 
ATOM      5  S   LIG    1       -1.675   0.420   1.001  0.00  0.00    -0.070 S 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.548   0.832  -2.939  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.464   0.188  -3.555  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -0.213   0.377  -4.916  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -1.051   1.198  -5.661  0.00  0.00    +0.123 A 
ATOM     10  F   LIG    1       -0.809   1.379  -6.966  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -2.141   1.830  -5.074  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -2.392   1.643  -3.713  0.00  0.00    +0.013 A 
ENDBRANCH   2   6
BRANCH   4  13
ATOM     13  C   LIG    1       -4.462  -0.066   0.937  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1       -4.935   1.120   1.791  0.00  0.00    +0.025 C 
ATOM     15  C   LIG    1       -5.932   0.647   2.842  0.00  0.00    +0.081 C 
ATOM     16  N   LIG    1       -5.346  -0.305   3.784  0.00  0.00    -0.316 NA
ATOM     17  H   LIG    1       -6.082  -0.892   4.176  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -4.273  -1.131   3.233  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -4.403  -1.380   1.734  0.00  0.00    +0.025 C 
ENDBRANCH   4  13
BRANCH   1  22
ATOM     20  C   LIG    1        2.650   0.392   0.026  0.00  0.00    +0.220 A 
ATOM     21  N   LIG    1        1.333   0.142   0.031  0.00  0.00    -0.214 NA
ATOM     22  C   LIG    1        0.522   1.073  -0.514  0.00  0.00    +0.085 A 
ATOM     23  C   LIG    1        0.983   2.244  -1.069  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        2.342   2.409  -1.032  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        3.183   1.506  -0.497  0.00  0.00    -0.223 NA
BRANCH  20  26
ATOM     26  N   LIG    1        3.434  -0.602   0.605  0.00  0.00    -0.284 N 
ATOM     27  H   LIG    1        2.829  -1.335   0.946  0.00  0.00    +0.155 HD
BRANCH  26  33
ATOM     28  C   LIG    1        7.121  -3.336   2.364  0.00  0.00    +0.065 C 
ATOM     29  C   LIG    1        6.629  -2.094   1.684  0.00  0.00    +0.040 A 
ATOM     30  N   LIG    1        7.553  -1.184   1.312  0.00  0.00    -0.260 NA
ATOM     31  C   LIG    1        7.101  -0.070   0.701  0.00  0.00    +0.113 A 
ATOM     32  C   LIG    1        5.764   0.184   0.439  0.00  0.00    +0.043 A 
ATOM     33  C   LIG    1        4.808  -0.752   0.823  0.00  0.00    +0.037 A 
ATOM     34  C   LIG    1        5.265  -1.914   1.458  0.00  0.00    +0.046 A 
ENDBRANCH  26  33
ENDBRANCH  20  26
ENDBRANCH   1  22
TORSDOF 5