REMARK  Name = BDB062608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.431  -0.768   2.465  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        2.178   0.470   2.511  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.183  -1.539   3.666  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  C   LIG    1       -3.955   2.338  -1.157  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -4.624   1.068  -0.715  0.00  0.00    +0.217 C 
ATOM      6  N   LIG    1       -3.943   0.177   0.086  0.00  0.00    -0.271 N 
ATOM      7  C   LIG    1       -2.616   0.140   0.554  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -2.441  -0.989   1.367  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -1.223  -1.288   1.964  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -0.150  -0.431   1.716  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1       -0.311   0.712   0.917  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -3.714  -1.759   1.523  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -1.550   0.995   0.326  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.635  -1.038   0.540  0.00  0.00    +0.118 C 
ATOM     15  O   LIG    1       -5.786   0.846  -1.074  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  N   LIG    1        2.153  -1.830   1.369  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1        1.953  -2.804   1.590  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.251  -1.463  -0.002  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        3.010  -0.357  -0.397  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        3.078   0.051  -1.742  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1        2.352  -0.714  -2.673  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.598  -1.826  -2.287  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        1.547  -2.202  -0.949  0.00  0.00    +0.024 A 
BRANCH  20  24
ATOM     24  C   LIG    1        3.879   1.252  -2.213  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        5.204   1.605  -1.583  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        4.010   2.489  -1.357  0.00  0.00    +0.009 C 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4