REMARK  Name = BDB030309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.152  -0.105  -1.461  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.001   0.704  -0.696  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        3.166   0.156  -0.154  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        4.015   0.981   0.615  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        3.785   1.954   0.766  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        5.194   0.565   1.205  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        5.555  -0.832   0.998  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.743  -1.662   0.246  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        5.363  -3.244   0.141  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        6.724  -2.841   1.097  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.706  -1.521   1.490  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        5.880   1.343   1.862  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        3.500  -1.198  -0.372  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.653  -1.992  -1.151  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        1.488  -1.445  -1.697  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1       -0.729   1.437  -1.373  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -0.468   1.603  -0.412  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -0.099   0.426  -2.067  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -0.525  -0.058  -3.109  0.00  0.00    -0.270 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -2.031   1.923  -1.776  0.00  0.00    +0.139 C 
BRANCH  20  24
ATOM     21  C   LIG    1       -5.101   0.138   0.692  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1       -4.643   1.426   0.967  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -3.653   2.008   0.165  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -3.114   1.312  -0.925  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -3.574   0.016  -1.190  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -4.560  -0.562  -0.388  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -6.657   0.135   2.489  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -6.057  -0.544   1.394  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH  16  20
ENDBRANCH   1  18
TORSDOF 4