REMARK  Name = BDB045711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.179   0.180  -0.441  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -2.748   1.480  -0.274  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.327   1.799  -0.393  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -1.252   3.332  -0.377  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -2.682   3.779  -0.659  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -3.541   2.677  -0.042  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.376  -0.708  -0.743  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.705  -2.974  -2.455  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1       -5.330  -1.584  -2.014  0.00  0.00    +0.213 C 
ATOM     10  N   LIG    1       -5.059  -1.421  -0.677  0.00  0.00    -0.290 N 
ATOM     11  C   LIG    1       -4.668  -0.118  -0.147  0.00  0.00    +0.162 C 
ATOM     12  C   LIG    1       -4.900  -0.255   1.357  0.00  0.00    +0.033 C 
ATOM     13  C   LIG    1       -4.616  -1.734   1.617  0.00  0.00    +0.021 C 
ATOM     14  C   LIG    1       -5.157  -2.422   0.371  0.00  0.00    +0.108 C 
ATOM     15  O   LIG    1       -5.275  -0.650  -2.813  0.00  0.00    -0.276 OA
ENDBRANCH   1  11
BRANCH   3  16
ATOM     16  C   LIG    1       -0.549   1.241   0.814  0.00  0.00    +0.234 C 
ATOM     17  N   LIG    1        0.759   0.906   0.530  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        0.982   0.688  -0.434  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -1.027   1.176   1.946  0.00  0.00    -0.274 OA
BRANCH  17  20
ATOM     20  C   LIG    1        1.566   0.265   1.540  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.982   0.098   1.060  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        3.396  -1.099   0.462  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        4.705  -1.240  -0.009  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        5.620  -0.185   0.099  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1        5.202   1.015   0.689  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        3.894   1.157   1.161  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.989  -0.347  -0.388  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        7.971  -1.257  -0.020  0.00  0.00    +0.053 A 
ATOM     29  C   LIG    1        7.870  -2.310   1.026  0.00  0.00    +0.067 C 
ATOM     30  N   LIG    1        9.167  -1.143  -0.716  0.00  0.00    -0.252 NA
ATOM     31  C   LIG    1        9.080  -0.162  -1.585  0.00  0.00    +0.156 A 
ATOM     32  S   LIG    1        7.590   0.677  -1.632  0.00  0.00    -0.075 S 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   3  16
BRANCH   5  33
ATOM     33  O   LIG    1       -2.887   3.846  -2.071  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1       -2.945   2.934  -2.414  0.00  0.00    +0.210 HD
ENDBRANCH   5  33
TORSDOF 6