REMARK  Name = BDB056548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.974  -0.501   1.001  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.335  -1.061  -0.081  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.330  -0.520  -0.946  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.807  -0.910   2.149  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -4.407   0.506  -2.814  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -3.340   0.590  -1.754  0.00  0.00    +0.213 C 
ATOM      7  N   LIG    1       -3.755   0.623  -0.442  0.00  0.00    -0.288 N 
ATOM      8  C   LIG    1       -2.805   0.766   0.679  0.00  0.00    +0.164 C 
ATOM      9  C   LIG    1       -3.679   1.165   1.881  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -4.944   1.728   1.252  0.00  0.00    +0.134 C 
ATOM     11  C   LIG    1       -5.123   0.872   0.002  0.00  0.00    +0.140 C 
ATOM     12  O   LIG    1       -2.147   0.613  -2.057  0.00  0.00    -0.276 OA
BRANCH  10  13
ATOM     13  O   LIG    1       -4.752   3.098   0.899  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -4.053   3.145   0.222  0.00  0.00    +0.210 HD
ENDBRANCH  10  13
ENDBRANCH   1   8
BRANCH   2  15
ATOM     15  C   LIG    1       -0.350  -2.104   0.056  0.00  0.00    +0.139 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.039  -1.525   0.139  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1        1.596  -1.194   1.381  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        2.873  -0.632   1.461  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.614  -0.380   0.299  0.00  0.00    -0.010 A 
ATOM     20  C   LIG    1        3.052  -0.700  -0.944  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        1.774  -1.262  -1.024  0.00  0.00    +0.006 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.955   0.198   0.372  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1        6.173  -0.302  -0.068  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        6.418  -1.617  -0.719  0.00  0.00    +0.067 C 
ATOM     25  N   LIG    1        7.262   0.534   0.141  0.00  0.00    -0.252 NA
ATOM     26  C   LIG    1        6.863   1.637   0.732  0.00  0.00    +0.156 A 
ATOM     27  S   LIG    1        5.190   1.752   1.070  0.00  0.00    -0.075 S 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 5