REMARK  Name = BDB036457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.535   0.085   1.428  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.804   0.028   0.960  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.206   1.347   0.951  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        2.468   1.785   0.562  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        3.390   0.804   0.152  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.992  -0.547   0.145  0.00  0.00    +0.069 A 
ATOM      7  O   LIG    1        0.181   2.134   1.373  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.705  -0.966   0.543  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1       -0.916   1.343   1.669  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.339  -1.034   1.594  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.991  -1.921   1.233  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.996  -0.983   1.794  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.253  -0.299   3.044  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.465  -2.344   1.599  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.151  -0.368  -0.876  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.589  -0.041   0.416  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.494   1.011   0.583  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.938   1.738  -0.529  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.458   1.443  -1.803  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.561   0.392  -1.977  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -2.905  -2.496  -1.736  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.266  -1.395  -1.084  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -5.066   1.289   1.793  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.539   2.495   2.350  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  N   LIG    1        4.674   1.240  -0.264  0.00  0.00    -0.297 N 
ATOM     26  H   LIG    1        4.806   2.231  -0.092  0.00  0.00    +0.154 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.724   0.567  -0.803  0.00  0.00    +0.166 A 
ATOM     28  N   LIG    1        5.808  -0.723  -1.153  0.00  0.00    -0.063 NA
ATOM     29  O   LIG    1        7.078  -0.912  -1.657  0.00  0.00    -0.361 OA
ATOM     30  C   LIG    1        7.756   0.258  -1.615  0.00  0.00    +0.232 A 
ATOM     31  C   LIG    1        6.947   1.227  -1.086  0.00  0.00    +0.088 A 
ENDBRANCH  25  27
ENDBRANCH   5  25
BRANCH   8  32
ATOM     32  O   LIG    1        1.258  -2.261   0.555  0.00  0.00    -0.494 OA
ATOM     33  C   LIG    1        2.167  -3.265   0.118  0.00  0.00    +0.277 C 
ENDBRANCH   8  32
TORSDOF 8