REMARK  Name = BDB025600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.591   1.317   1.210  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -1.531   0.722   0.383  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.306  -0.642   0.378  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -2.102  -1.392   0.955  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1       -0.722   1.763  -0.242  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -1.488   3.064   0.001  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -2.189   2.787   1.328  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.706  -0.481  -0.049  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -4.507  -0.105   0.651  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1       -3.860  -0.844   0.937  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1       -3.963   1.157   0.518  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -4.500   2.055  -0.126  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  O   LIG    1       -0.615   4.175   0.099  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -1.159   4.951   0.326  0.00  0.00    +0.210 HD
ENDBRANCH   6  13
BRANCH   3  15
ATOM     15  C   LIG    1       -0.117  -1.188  -0.429  0.00  0.00    +0.197 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.158  -0.791   0.148  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        1.354  -0.780   1.478  0.00  0.00    -0.064 NA
ATOM     18  N   LIG    1        2.593  -0.358   1.696  0.00  0.00    -0.129 NA
ATOM     19  C   LIG    1        3.175  -0.100   0.485  0.00  0.00    +0.119 A 
ATOM     20  C   LIG    1        2.274  -0.367  -0.519  0.00  0.00    +0.140 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.633   0.417   0.305  0.00  0.00    +0.041 A 
ATOM     22  S   LIG    1        5.680   0.721   1.618  0.00  0.00    -0.095 S 
ATOM     23  C   LIG    1        6.944   1.212   0.575  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        6.575   1.144  -0.750  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        5.233   0.683  -0.907  0.00  0.00    +0.018 A 
ENDBRANCH  19  21
ENDBRANCH  15  16
BRANCH  15  26
ATOM     26  C   LIG    1       -0.228  -2.721  -0.681  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1        0.121  -3.590   0.532  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        0.625  -3.155  -1.879  0.00  0.00    +0.010 C 
ENDBRANCH  15  26
ENDBRANCH   3  15
TORSDOF 6