REMARK  Name = BDB062607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.190  -3.233  -0.678  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.734  -4.579  -0.399  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.802  -2.899  -1.946  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -0.192  -2.139  -0.425  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1       -0.287  -0.963  -1.177  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.375  -0.134  -0.945  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1       -1.664   1.177  -1.603  0.00  0.00    +0.056 C 
ATOM      8  C   LIG    1       -3.012   1.557  -0.979  0.00  0.00    +0.118 C 
ATOM      9  N   LIG    1       -3.337   0.544   0.040  0.00  0.00    -0.271 N 
ATOM     10  C   LIG    1       -4.441   0.560   0.873  0.00  0.00    +0.217 C 
ATOM     11  O   LIG    1       -4.695  -0.286   1.730  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1       -5.374   1.732   0.685  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -2.350  -0.459  -0.000  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -2.267  -1.633   0.733  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -1.179  -2.485   0.513  0.00  0.00    +0.030 A 
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1        2.235  -2.821   0.583  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1        2.073  -3.394   1.409  0.00  0.00    +0.174 HD
BRANCH  16  20
ATOM     18  C   LIG    1        3.627   0.594  -0.001  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1        3.306  -0.753  -0.196  0.00  0.00    +0.070 A 
ATOM     20  C   LIG    1        2.599  -1.459   0.777  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1        2.212  -0.823   1.955  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        2.528   0.521   2.154  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.233   1.229   1.177  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1        4.730   2.521  -0.857  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        4.317   1.172  -1.032  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 4