REMARK  Name = BDB012153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.200  -0.303   0.423  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.430  -0.619  -0.689  0.00  0.00    -0.009 A 
ATOM      3  C   LIG    1       -1.617  -1.844  -1.533  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -0.400   0.371  -0.944  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1       -0.442   1.406  -0.028  0.00  0.00    +0.036 A 
ATOM      6  S   LIG    1       -1.640   1.143   1.156  0.00  0.00    -0.073 S 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.470   2.681   0.008  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        1.434   3.060  -0.897  0.00  0.00    +0.117 A 
ATOM      9  N   LIG    1        1.953   4.234  -0.431  0.00  0.00    -0.274 N 
ATOM     10  C   LIG    1        2.989   5.028  -1.046  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        1.404   4.641   0.728  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1        0.484   3.705   0.981  0.00  0.00    +0.143 A 
ENDBRANCH   5   7
BRANCH   4  13
ATOM     13  C   LIG    1        0.553   0.276  -2.037  0.00  0.00    +0.246 C 
ATOM     14  N   LIG    1        1.795  -0.235  -1.755  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        2.328  -0.424  -2.597  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        0.272   0.615  -3.182  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.193  -0.962  -0.565  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.661  -0.757  -0.333  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        4.554  -1.576  -1.218  0.00  0.00    +0.254 A 
ATOM     20  O   LIG    1        4.105  -2.309  -2.093  0.00  0.00    -0.268 OA
ATOM     21  N   LIG    1        5.904  -1.456  -1.013  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        6.487  -2.018  -1.622  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        6.478  -0.635  -0.075  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        7.973  -0.625   0.000  0.00  0.00    +0.063 C 
ATOM     25  C   LIG    1        5.684   0.105   0.712  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        4.233   0.044   0.594  0.00  0.00    -0.039 A 
ATOM     27  C   LIG    1        3.498   0.925   1.566  0.00  0.00    +0.044 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   4  13
BRANCH   1  28
ATOM     28  N   LIG    1       -3.272  -1.029   0.895  0.00  0.00    -0.321 N 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.491  -1.009   0.044  0.00  0.00    +0.078 C 
ATOM     30  C   LIG    1       -5.136  -2.402  -0.027  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1       -6.647  -2.307  -0.191  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1       -6.977  -1.212  -1.037  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -6.705   0.059  -0.442  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1       -5.498   0.052   0.492  0.00  0.00    +0.050 C 
ENDBRANCH  28  29
BRANCH  28  36
ATOM     35  C   LIG    1       -2.369  -2.037   2.961  0.00  0.00    +0.024 C 
ATOM     36  C   LIG    1       -3.464  -1.172   2.349  0.00  0.00    +0.102 C 
ENDBRANCH  28  36
ENDBRANCH   1  28
TORSDOF 7