REMARK  Name = BDB012195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.304  -1.626  -2.562  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.853  -0.535  -2.205  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.234  -0.442  -1.346  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -0.807  -1.690  -0.850  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -1.796  -1.488   0.290  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.873  -0.463  -0.086  0.00  0.00    +0.094 C 
ATOM      7  C   LIG    1       -2.292   0.784  -0.788  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.768   0.804  -0.791  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1       -3.697  -0.119   1.076  0.00  0.00    -0.299 N 
ATOM     10  C   LIG    1       -5.012  -0.611   1.281  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1       -5.553  -0.202   2.503  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1       -6.829  -0.574   2.900  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -7.586  -1.374   2.044  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -7.056  -1.790   0.817  0.00  0.00    +0.002 A 
ATOM     15  S   LIG    1       -4.410   0.799   3.406  0.00  0.00    -0.027 S 
ATOM     16  C   LIG    1       -5.765  -1.412   0.429  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -3.193   0.638   2.134  0.00  0.00    +0.292 A 
ATOM     18  O   LIG    1       -2.082   1.142   2.218  0.00  0.00    -0.259 OA
ENDBRANCH   6   9
BRANCH   2  19
ATOM     19  C   LIG    1        1.485   0.771  -2.667  0.00  0.00    +0.096 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.692   0.609  -3.597  0.00  0.00    +0.017 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.870  -0.214  -3.071  0.00  0.00    +0.075 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.161   0.042  -1.613  0.00  0.00    +0.110 A 
ATOM     23  N   LIG    1        3.658  -0.884  -0.738  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        3.148  -1.693  -1.082  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1        3.833  -0.807   0.622  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1        3.436  -1.677   1.388  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1        4.546   0.391   1.098  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1        5.006   1.294   0.136  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1        5.676   2.442   0.566  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1        5.876   2.681   1.931  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        5.412   1.768   2.879  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        4.745   0.616   2.466  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1        4.808   1.097  -1.241  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 5