REMARK  Name = BDB049415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.497   0.671   0.600  0.00  0.00    +0.228 C 
ATOM      2  N   LIG    1       -1.876   0.670   0.546  0.00  0.00    -0.284 N 
ATOM      3  H   LIG    1       -2.377   0.318   1.366  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.261   1.019  -0.306  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.722   1.148  -0.486  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -4.118   0.953  -0.374  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -4.994   1.506  -1.322  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.489   2.196  -2.421  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.113   2.349  -2.566  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.236   1.834  -1.604  0.00  0.00    +0.024 A 
BRANCH   6  11
ATOM     11  C   LIG    1       -4.683   0.203   0.783  0.00  0.00    +0.248 C 
ATOM     12  N   LIG    1       -5.716  -0.712   0.578  0.00  0.00    -0.304 N 
ATOM     13  C   LIG    1       -5.922  -1.439  -0.668  0.00  0.00    +0.132 C 
ATOM     14  C   LIG    1       -6.361  -1.278   1.751  0.00  0.00    +0.132 C 
ATOM     15  O   LIG    1       -4.195   0.421   1.893  0.00  0.00    -0.270 OA
ENDBRANCH   6  11
ENDBRANCH   2   5
BRANCH   1  16
ATOM     16  C   LIG    1        0.057   0.142   1.917  0.00  0.00    +0.173 C 
BRANCH  16  17
ATOM     17  S   LIG    1        0.777  -1.503   1.658  0.00  0.00    -0.079 S 
BRANCH  17  24
ATOM     18  C   LIG    1        6.731  -0.417   0.238  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1        5.890  -1.099   1.129  0.00  0.00    +0.075 A 
ATOM     20  C   LIG    1        4.500  -0.984   0.982  0.00  0.00    +0.093 A 
ATOM     21  C   LIG    1        3.993  -0.197  -0.047  0.00  0.00    +0.067 A 
ATOM     22  N   LIG    1        2.632  -0.303   0.089  0.00  0.00    -0.333 N 
ATOM     23  H   LIG    1        1.927   0.155  -0.476  0.00  0.00    +0.168 HD
ATOM     24  C   LIG    1        2.384  -1.107   1.164  0.00  0.00    +0.168 A 
ATOM     25  C   LIG    1        4.798   0.496  -0.950  0.00  0.00    +0.031 A 
ATOM     26  N   LIG    1        3.486  -1.544   1.722  0.00  0.00    -0.222 NA
ATOM     27  C   LIG    1        6.186   0.368  -0.784  0.00  0.00    +0.048 A 
BRANCH  18  29
ATOM     28  C   LIG    1        8.977   0.057  -0.396  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        8.068  -0.600   0.477  0.00  0.00    -0.495 OA
ENDBRANCH  18  29
ENDBRANCH  17  24
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6