REMARK  Name = BDB063930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.832  -0.885   0.835  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -1.097  -2.201   0.675  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.964  -2.681   0.830  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.060  -2.849   0.386  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.236  -4.038   0.210  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.049  -1.739   0.358  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.344  -1.950   0.092  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.411  -0.555   0.661  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.409  -0.935   0.052  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.697  -1.310   0.471  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.736  -0.364   0.408  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.529   0.932  -0.070  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.647   1.751  -0.073  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.677   1.085   0.395  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.239   1.291  -0.502  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.391  -0.536   0.862  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.197   0.355  -0.443  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.795   0.015   1.166  0.00  0.00    -0.302 N 
ATOM     19  H   LIG    1       -1.395   0.954   1.106  0.00  0.00    +0.150 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.149  -0.017   0.583  0.00  0.00    +0.210 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.126   0.572  -0.831  0.00  0.00    +0.330 C 
ATOM     22  O   LIG    1       -2.379   1.475  -1.189  0.00  0.00    -0.249 OA
BRANCH  21  24
ATOM     23  C   LIG    1       -4.095   0.463  -2.959  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1       -4.042  -0.049  -1.626  0.00  0.00    -0.467 OA
ENDBRANCH  21  24
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  C   LIG    1       -4.135   0.744   1.498  0.00  0.00    +0.143 C 
ATOM     26  C   LIG    1       -4.044   2.264   1.418  0.00  0.00    +0.040 C 
BRANCH  25  27
ATOM     27  O   LIG    1       -5.487   0.370   1.214  0.00  0.00    -0.390 OA
ATOM     28  H   LIG    1       -5.666  -0.479   1.656  0.00  0.00    +0.210 HD
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7