REMARK  Name = BDB012097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.930   2.664   0.393  0.00  0.00    +0.155 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.431   2.331   0.573  0.00  0.00    +0.026 C 
ATOM      3  C   LIG    1       -0.207   0.952   1.220  0.00  0.00    +0.025 C 
ATOM      4  C   LIG    1        1.259   0.539   1.158  0.00  0.00    +0.111 C 
ATOM      5  N   LIG    1        1.758   0.503  -0.212  0.00  0.00    -0.267 N 
ATOM      6  C   LIG    1        2.913  -0.175  -0.564  0.00  0.00    +0.403 C 
ATOM      7  O   LIG    1        3.336  -0.247  -1.710  0.00  0.00    -0.226 OA
ATOM      8  C   LIG    1        1.013   1.232  -1.231  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1        0.453   2.539  -0.677  0.00  0.00    +0.025 C 
BRANCH   6  10
ATOM     10  O   LIG    1        3.516  -0.739   0.516  0.00  0.00    -0.445 OA
BRANCH  10  11
ATOM     11  C   LIG    1        4.746  -1.494   0.376  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1        5.888  -0.611  -0.137  0.00  0.00    +0.055 C 
ATOM     13  C   LIG    1        5.083  -1.949   1.805  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1        4.542  -2.737  -0.497  0.00  0.00    +0.055 C 
ENDBRANCH  10  11
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     15  C   LIG    1       -4.134   0.030  -1.340  0.00  0.00    +0.069 A 
ATOM     16  C   LIG    1       -3.540   0.663  -0.168  0.00  0.00    -0.024 A 
ATOM     17  C   LIG    1       -3.788   0.206   1.240  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -2.718   1.738  -0.518  0.00  0.00    +0.022 A 
ATOM     19  S   LIG    1       -2.694   1.980  -2.218  0.00  0.00    -0.098 S 
ATOM     20  C   LIG    1       -3.728   0.668  -2.498  0.00  0.00    +0.060 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -5.046  -1.120  -1.418  0.00  0.00    +0.340 C 
ATOM     22  O   LIG    1       -5.471  -1.562  -2.481  0.00  0.00    -0.245 OA
BRANCH  21  24
ATOM     23  C   LIG    1       -6.258  -2.758  -0.261  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1       -5.371  -1.642  -0.201  0.00  0.00    -0.464 OA
ENDBRANCH  21  24
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   1  25
ATOM     25  O   LIG    1       -2.080   4.008  -0.070  0.00  0.00    -0.386 OA
ATOM     26  H   LIG    1       -2.122   3.977  -1.042  0.00  0.00    +0.210 HD
ENDBRANCH   1  25
TORSDOF 7