REMARK  Name = BDB046153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.224   0.453  -1.281  0.00  0.00    +0.226 A 
ATOM      2  C   LIG    1       -0.033   1.101  -2.499  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        1.282   1.390  -3.056  0.00  0.00    +0.087 A 
ATOM      4  N   LIG    1        1.224   2.021  -4.236  0.00  0.00    -0.210 NA
ATOM      5  S   LIG    1       -0.354   2.264  -4.679  0.00  0.00    +0.005 S 
ATOM      6  C   LIG    1        2.441   1.010  -2.357  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        2.170   0.363  -1.141  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1       -1.058   1.535  -3.304  0.00  0.00    +0.080 A 
ATOM      9  N   LIG    1        0.914   0.095  -0.619  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        3.277  -0.091  -0.307  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        3.137  -0.804   0.868  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1        4.396  -1.035   1.335  0.00  0.00    -0.274 N 
ATOM     13  C   LIG    1        4.761  -1.746   2.536  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.360  -0.522   0.550  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        4.678   0.050  -0.446  0.00  0.00    +0.144 A 
ENDBRANCH   7  10
BRANCH   1  16
ATOM     16  O   LIG    1       -1.473   0.189  -0.766  0.00  0.00    -0.473 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -1.401  -2.005   0.252  0.00  0.00    +0.052 C 
ATOM     18  C   LIG    1       -1.481  -0.497   0.493  0.00  0.00    +0.177 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.775  -0.132   1.237  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1       -4.077  -0.426   0.474  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -5.029   0.612   1.012  0.00  0.00    +0.213 C 
ATOM     22  O   LIG    1       -6.235   0.644   0.845  0.00  0.00    -0.276 OA
ATOM     23  N   LIG    1       -4.296   1.559   1.695  0.00  0.00    -0.315 N 
ATOM     24  H   LIG    1       -4.741   2.416   2.000  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -2.888   1.360   1.537  0.00  0.00    +0.111 C 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4