REMARK  Name = BDB053930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.017   1.998  -1.487  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1       -1.232   1.611  -1.054  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -1.346   0.820  -0.434  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.158   3.014  -2.164  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.316   0.337  -0.370  0.00  0.00    +0.109 A 
ATOM      6  S   LIG    1        2.668   1.852  -0.860  0.00  0.00    -0.062 S 
ATOM      7  C   LIG    1        1.113   1.149  -1.062  0.00  0.00    +0.097 A 
ATOM      8  C   LIG    1        1.187  -0.207  -0.783  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        0.117  -1.234  -0.897  0.00  0.00    +0.067 C 
ATOM     10  N   LIG    1        2.437  -0.646  -0.371  0.00  0.00    -0.243 NA
BRANCH   5  14
ATOM     11  C   LIG    1        7.429  -0.263   0.791  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        7.023   0.982   0.317  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        5.690   1.196  -0.065  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        4.733   0.171   0.018  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        5.162  -1.077   0.496  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        6.491  -1.291   0.878  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        9.683   0.414   1.121  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        8.690  -0.602   1.194  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  C   LIG    1       -2.459   2.340  -1.390  0.00  0.00    +0.090 C 
ATOM     20  C   LIG    1       -3.540   2.022  -0.336  0.00  0.00    +0.127 C 
ATOM     21  N   LIG    1       -3.801   0.569  -0.334  0.00  0.00    -0.328 N 
ATOM     22  C   LIG    1       -3.898  -0.105  -1.640  0.00  0.00    +0.105 C 
ATOM     23  C   LIG    1       -4.052   0.901  -2.779  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1       -2.943   1.956  -2.797  0.00  0.00    +0.025 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.220  -0.095   0.812  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1       -4.130  -1.494   0.916  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -4.534  -2.181   2.073  0.00  0.00    +0.061 A 
ATOM     28  C   LIG    1       -5.044  -1.470   3.160  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -5.143  -0.086   3.086  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -4.734   0.586   1.928  0.00  0.00    +0.023 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -4.433  -3.656   2.186  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       -4.772  -4.322   3.147  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -3.910  -4.234   1.090  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -3.904  -5.189   1.312  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  21  25
ENDBRANCH   2  19
TORSDOF 7