REMARK  Name = BDB012102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.259   1.538   1.519  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1       -0.724   0.776   1.915  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.670   2.390   0.620  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1       -1.241   3.367   0.148  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.726   2.072   0.309  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        1.342   0.768   0.117  0.00  0.00    -0.010 A 
ATOM      7  C   LIG    1        0.570  -0.518   0.077  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1        2.722   0.856  -0.082  0.00  0.00    +0.072 A 
ATOM      9  S   LIG    1        3.201   2.505  -0.215  0.00  0.00    -0.081 S 
ATOM     10  C   LIG    1        1.641   3.083   0.102  0.00  0.00    +0.060 A 
BRANCH   8  11
ATOM     11  N   LIG    1        3.600  -0.194  -0.202  0.00  0.00    -0.322 N 
ATOM     12  C   LIG    1        4.921  -0.062  -0.846  0.00  0.00    +0.071 C 
ATOM     13  C   LIG    1        4.809  -0.477  -2.311  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1        5.836  -1.004  -0.049  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1        4.883  -2.037   0.521  0.00  0.00    +0.021 C 
ATOM     16  C   LIG    1        3.658  -1.201   0.865  0.00  0.00    +0.106 C 
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  C   LIG    1       -2.656   1.611   1.873  0.00  0.00    +0.145 C 
BRANCH  17  24
ATOM     18  C   LIG    1       -5.468  -2.683  -0.863  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1       -4.782  -1.513  -0.229  0.00  0.00    +0.016 A 
ATOM     20  N   LIG    1       -3.937  -1.774   0.820  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -3.792  -2.727   1.130  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -3.223  -0.820   1.498  0.00  0.00    +0.254 A 
ATOM     23  O   LIG    1       -2.452  -1.124   2.404  0.00  0.00    -0.268 OA
ATOM     24  C   LIG    1       -3.417   0.604   1.063  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -4.252   0.853   0.028  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1       -4.546   2.210  -0.550  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -4.946  -0.245  -0.632  0.00  0.00    +0.024 A 
ENDBRANCH  17  24
ENDBRANCH   1  17
TORSDOF 4