REMARK  Name = BDB034849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.193  -2.441   0.922  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -1.078  -2.365   0.755  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -1.995  -1.327   0.742  0.00  0.00    -0.281 N 
ATOM      4  C   LIG    1       -3.398  -1.755   0.776  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -3.465  -3.095   0.055  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1       -1.907  -3.916   0.486  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.782  -0.091   0.094  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -2.299   1.089   0.650  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -2.082   2.315   0.024  0.00  0.00    +0.119 A 
ATOM     10  C   LIG    1       -1.363   2.393  -1.161  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1       -0.845   1.232  -1.727  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -1.055  -0.002  -1.104  0.00  0.00    +0.024 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -2.559   3.478   0.555  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1       -2.921   3.291   1.437  0.00  0.00    +0.292 HD
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  O   LIG    1        0.563  -0.599   2.249  0.00  0.00    -0.268 OA
ATOM     16  C   LIG    1        0.836  -1.284   1.270  0.00  0.00    +0.271 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.926  -0.957   0.350  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        2.646   0.280   0.274  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.577   0.152  -0.752  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        4.460   1.072  -1.182  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        4.380   2.236  -0.495  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        3.501   2.505   0.545  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        3.454  -1.100  -1.282  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        4.027  -1.443  -2.039  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        2.608   1.513   0.949  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        2.456  -1.780  -0.637  0.00  0.00    +0.098 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4