REMARK  Name = BDB000123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.192  -0.824  -1.931  0.00  0.00    +0.249 C 
ATOM      2  N   LIG    1        0.839  -0.742  -1.008  0.00  0.00    -0.266 N 
ATOM      3  H   LIG    1        0.655  -0.443  -0.059  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.040  -1.071  -3.125  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.149  -0.977  -1.369  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.301  -0.923  -0.639  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        3.821  -0.648   0.702  0.00  0.00    +0.148 C 
ATOM      8  N   LIG    1        5.269  -0.907   0.508  0.00  0.00    -0.291 N 
ATOM      9  C   LIG    1        5.648  -1.252  -0.893  0.00  0.00    +0.165 C 
ATOM     10  C   LIG    1        6.130  -0.749   1.569  0.00  0.00    +0.221 C 
ATOM     11  O   LIG    1        5.716  -0.405   2.680  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        4.321  -1.259  -1.527  0.00  0.00    +0.087 A 
ATOM     13  N   LIG    1        3.903  -1.525  -2.758  0.00  0.00    -0.175 NA
ATOM     14  N   LIG    1        2.559  -1.340  -2.642  0.00  0.00    -0.263 N 
ATOM     15  H   LIG    1        1.957  -1.467  -3.453  0.00  0.00    +0.190 HD
BRANCH  10  16
ATOM     16  C   LIG    1        7.611  -1.010   1.340  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        8.300   0.239   0.880  0.00  0.00    -0.001 A 
ATOM     18  S   LIG    1        9.311   0.201  -0.505  0.00  0.00    -0.101 S 
ATOM     19  C   LIG    1        9.685   1.862  -0.359  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1        9.070   2.436   0.730  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        8.278   1.498   1.451  0.00  0.00    +0.011 A 
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   2   5
BRANCH   1  25
ATOM     22  C   LIG    1       -4.197  -0.013  -0.476  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -3.229  -0.609   0.350  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1       -1.929  -0.884  -0.098  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -1.557  -0.556  -1.402  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -2.501   0.021  -2.251  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -3.795   0.292  -1.787  0.00  0.00    +0.024 A 
BRANCH  22  32
ATOM     28  C   LIG    1       -8.870   1.173   2.106  0.00  0.00    +0.105 C 
ATOM     29  N   LIG    1       -8.317   0.709   0.837  0.00  0.00    -0.302 NA
ATOM     30  C   LIG    1       -7.446   1.744   0.239  0.00  0.00    +0.103 C 
ATOM     31  C   LIG    1       -6.373   1.188  -0.726  0.00  0.00    +0.120 C 
ATOM     32  N   LIG    1       -5.473   0.262  -0.017  0.00  0.00    -0.327 N 
ATOM     33  C   LIG    1       -6.064  -0.483   1.110  0.00  0.00    +0.120 C 
ATOM     34  C   LIG    1       -7.603  -0.576   0.983  0.00  0.00    +0.103 C 
ENDBRANCH  22  32
ENDBRANCH   1  25
TORSDOF 5