REMARK  Name = BDB034045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.319   2.729  -0.617  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -0.352   5.015  -0.776  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.507   3.831  -0.085  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        0.124   3.642   0.686  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -0.918   5.246  -1.838  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        0.740   7.285  -0.851  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        0.589   5.982  -0.086  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.616   2.015  -1.792  0.00  0.00    +0.086 C 
BRANCH   8   9
ATOM      9  C   LIG    1        0.480   1.095  -1.348  0.00  0.00    +0.081 A 
ATOM     10  S   LIG    1        2.113   1.614  -1.329  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        2.595   0.073  -0.731  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        1.466  -0.733  -0.588  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        1.630  -2.045  -0.106  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        2.909  -2.515   0.217  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        4.039  -1.701   0.071  0.00  0.00    -0.044 A 
ATOM     16  C   LIG    1        3.884  -0.388  -0.410  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1        0.263  -0.139  -0.941  0.00  0.00    -0.244 NA
BRANCH  15  18
ATOM     18  C   LIG    1        5.430  -2.207   0.419  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        5.835  -3.392  -0.461  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        5.544  -2.564   1.903  0.00  0.00    +0.012 C 
ENDBRANCH  15  18
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1       -1.774   1.802   0.533  0.00  0.00    +0.126 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.387   0.559   0.097  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1       -1.770  -0.056  -0.429  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -3.333  -0.075   0.887  0.00  0.00    +0.233 C 
ATOM     25  O   LIG    1       -3.836   0.462   1.870  0.00  0.00    -0.274 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -3.750  -1.493   0.380  0.00  0.00    +0.098 C 
ATOM     27  C   LIG    1       -2.536  -2.439   0.347  0.00  0.00    +0.059 C 
ATOM     28  C   LIG    1       -2.946  -3.889   0.126  0.00  0.00    +0.162 C 
ATOM     29  O   LIG    1       -3.893  -4.301   1.108  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1       -5.102  -3.547   1.015  0.00  0.00    +0.162 C 
ATOM     31  C   LIG    1       -4.831  -2.079   1.307  0.00  0.00    +0.059 C 
BRANCH  26  32
ATOM     32  N   LIG    1       -4.301  -1.343  -0.994  0.00  0.00    -0.317 NA
ATOM     33  H   LIG    1       -3.630  -0.826  -1.564  0.00  0.00    +0.119 HD
ATOM     34  H   LIG    1       -5.122  -0.735  -0.944  0.00  0.00    +0.119 HD
ENDBRANCH  26  32
ENDBRANCH  24  26
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 9