REMARK  Name = BDB002733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.720   3.285   2.118  0.00  0.00    -0.010 S 
ATOM      2  C   LIG    1       -0.438   2.620   1.133  0.00  0.00    +0.197 A 
ATOM      3  N   LIG    1       -1.004   1.357   1.123  0.00  0.00    -0.188 N 
ATOM      4  C   LIG    1       -2.015   1.414   0.200  0.00  0.00    +0.184 A 
ATOM      5  N   LIG    1       -2.064   2.547  -0.454  0.00  0.00    -0.152 NA
ATOM      6  N   LIG    1       -1.069   3.311   0.099  0.00  0.00    -0.253 N 
ATOM      7  H   LIG    1       -0.941   4.286  -0.142  0.00  0.00    +0.191 HD
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.941   0.297  -0.064  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -3.397   0.121  -1.372  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -4.274  -0.917  -1.622  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -4.721  -1.764  -0.671  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1       -4.283  -1.556   0.589  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -3.405  -0.547   0.942  0.00  0.00    +0.031 A 
ENDBRANCH   4   8
BRANCH   3  14
ATOM     14  N   LIG    1       -0.796   0.379   2.042  0.00  0.00    -0.171 NA
ATOM     15  C   LIG    1        0.314  -0.287   1.957  0.00  0.00    +0.133 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.369  -0.217   0.917  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1        2.469  -0.969   1.057  0.00  0.00    +0.048 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.495  -0.937   0.074  0.00  0.00    +0.128 A 
ATOM     19  O   LIG    1        3.438  -0.186  -1.081  0.00  0.00    -0.464 OA
ATOM     20  C   LIG    1        4.577  -0.390  -1.784  0.00  0.00    +0.195 A 
ATOM     21  C   LIG    1        5.397  -1.267  -1.122  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        4.708  -1.617   0.064  0.00  0.00    +0.049 A 
ENDBRANCH  17  18
ENDBRANCH  15  16
ENDBRANCH   3  14
TORSDOF 4