REMARK  Name = BDB034876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.192  -0.875  -0.903  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.613   0.126  -1.113  0.00  0.00    +0.153 C 
ATOM      3  N   LIG    1       -1.992   0.036  -0.910  0.00  0.00    -0.282 N 
ATOM      4  C   LIG    1       -2.961   1.075  -1.280  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -3.003   2.187  -0.229  0.00  0.00    +0.020 C 
ATOM      6  C   LIG    1       -1.893   3.232  -0.357  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -0.475   2.690  -0.227  0.00  0.00    +0.077 C 
ATOM      8  S   LIG    1        0.001   1.700  -1.667  0.00  0.00    -0.093 S 
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.571  -1.087  -0.266  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -2.157  -1.469   1.019  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -2.731  -2.567   1.666  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.727  -3.305   1.034  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.147  -2.948  -0.245  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -3.573  -1.849  -0.889  0.00  0.00    +0.023 A 
ENDBRANCH   3   9
BRANCH   1  16
ATOM     15  O   LIG    1        1.971  -0.818  -2.347  0.00  0.00    -0.268 OA
ATOM     16  C   LIG    1        1.519  -0.751  -1.210  0.00  0.00    +0.271 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.369  -0.575  -0.030  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        3.774  -0.285  -0.022  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        4.171  -0.199   1.308  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        5.401   0.062   1.787  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        6.316   0.250   0.807  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        6.065   0.194  -0.557  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        3.078  -0.432   2.091  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        3.108  -0.438   3.100  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        4.769  -0.078  -0.995  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        1.981  -0.657   1.302  0.00  0.00    +0.098 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 3