REMARK  Name = BDB004083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.340  -1.183  -0.226  0.00  0.00    -0.307 N 
ATOM      2  C   LIG    1       -2.237  -0.596  -1.181  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -3.373  -0.965  -0.205  0.00  0.00    +0.087 C 
ATOM      4  C   LIG    1       -4.533   0.043  -0.030  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1       -4.446   1.233   0.253  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -5.710  -0.633  -0.217  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1       -5.537  -1.986  -0.389  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1       -6.424  -2.821  -0.488  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -4.062  -2.304  -0.450  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1       -2.254  -0.962   0.859  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.685  -0.187  -0.079  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1        3.696  -0.639   0.810  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        2.369  -0.722   0.353  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1        2.013  -0.373  -0.948  0.00  0.00    +0.080 A 
ATOM     15  N   LIG    1        0.671  -0.508  -1.251  0.00  0.00    -0.225 NA
ATOM     16  C   LIG    1       -0.003  -0.944  -0.209  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1        3.016   0.077  -1.828  0.00  0.00    +0.030 A 
ATOM     18  S   LIG    1        0.961  -1.233   1.195  0.00  0.00    -0.052 S 
ATOM     19  C   LIG    1        4.344   0.167  -1.388  0.00  0.00    +0.017 A 
BRANCH  11  20
ATOM     20  C   LIG    1        6.084  -0.107   0.429  0.00  0.00    +0.340 C 
ATOM     21  O   LIG    1        6.395  -0.413   1.568  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        6.910   0.343  -0.543  0.00  0.00    -0.455 OA
BRANCH  22  24
ATOM     23  C   LIG    1        8.996  -0.832   0.039  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1        8.330   0.508  -0.292  0.00  0.00    +0.106 C 
ATOM     25  C   LIG    1        8.584   1.559   0.794  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        8.903   1.026  -1.620  0.00  0.00    +0.055 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  11  20
ENDBRANCH   1  16
BRANCH   6  27
ATOM     27  C   LIG    1       -7.029  -0.059   0.021  0.00  0.00    +0.170 C 
ATOM     28  C   LIG    1       -7.223   0.140   1.528  0.00  0.00    +0.240 C 
ATOM     29  O   LIG    1       -6.579  -0.467   2.384  0.00  0.00    -0.273 OA
ATOM     30  N   LIG    1       -8.223   1.014   1.890  0.00  0.00    -0.255 N 
ATOM     31  H   LIG    1       -8.359   1.143   2.884  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1       -8.936   1.859   1.075  0.00  0.00    +0.219 C 
ATOM     33  O   LIG    1       -9.741   2.658   1.543  0.00  0.00    -0.275 OA
ATOM     34  C   LIG    1       -8.721   1.706  -0.414  0.00  0.00    +0.098 C 
ATOM     35  C   LIG    1       -7.304   1.244  -0.724  0.00  0.00    +0.041 C 
ENDBRANCH   6  27
TORSDOF 5