REMARK  Name = BDB052403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.969  -0.621   0.335  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -0.057   0.064  -0.196  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.241  -0.063   0.419  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -2.379   0.639  -0.142  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1       -2.433   1.630  -1.075  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1       -1.334   2.247  -1.780  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1       -3.689   2.061  -1.313  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1       -4.478   1.316  -0.514  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1       -3.686   0.413   0.249  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.018  -0.613   1.279  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.815  -0.879   2.223  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -1.470  -0.843   1.540  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -0.356  -1.483   2.017  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        0.853  -1.391   1.431  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -5.940   1.486  -0.514  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.527   2.539  -0.751  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.669   0.349  -0.264  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -6.250  -0.549  -0.457  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.656   0.447  -0.463  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1        2.179  -0.464  -0.325  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        2.058   0.120  -1.143  0.00  0.00    +0.155 HD
BRANCH  20  23
ATOM     22  C   LIG    1        4.496  -0.585  -1.057  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        3.457  -1.034  -0.204  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        3.776  -2.003   0.754  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        5.067  -2.535   0.849  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.070  -2.100  -0.011  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.786  -1.126  -0.965  0.00  0.00    +0.016 A 
BRANCH  22  29
ATOM     28  C   LIG    1        4.603   2.134  -1.279  0.00  0.00    +0.090 C 
ATOM     29  S   LIG    1        4.201   0.688  -2.294  0.00  0.00    -0.127 S 
ENDBRANCH  22  29
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4