REMARK  Name = BDB063887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.023  -3.188  -1.970  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.849  -2.120  -1.419  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.856  -1.218  -0.794  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.154  -1.543  -0.734  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.227  -0.086  -0.318  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.028  -0.268  -0.604  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.303  -1.433  -1.227  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.213  -1.715  -1.567  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.234  -0.744  -0.134  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.294  -1.425   0.487  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.353  -0.680   1.038  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.388   0.714   0.974  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.494   1.310   1.559  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.278   0.382   2.056  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.329   1.385   0.334  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.761  -1.239   1.862  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.269   0.651  -0.216  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.996   0.637  -0.304  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.636   1.381   0.286  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.425   0.326  -0.157  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1       -3.067   0.211  -1.569  0.00  0.00    +0.135 C 
ATOM     22  C   LIG    1       -4.561   0.527  -1.677  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -5.426  -0.120  -0.599  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -5.565   0.758   0.642  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.303   0.886   1.486  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.064   1.395   0.746  0.00  0.00    +0.025 C 
BRANCH  21  27
ATOM     27  O   LIG    1       -2.850  -1.130  -2.059  0.00  0.00    -0.390 OA
ATOM     28  H   LIG    1       -3.197  -1.160  -2.970  0.00  0.00    +0.210 HD
ENDBRANCH  21  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4