REMARK  Name = BDB049396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.616  -0.031  -0.305  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -3.051   0.885  -0.205  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -1.269  -0.044  -0.615  0.00  0.00    +0.228 C 
ATOM      4  O   LIG    1       -0.532  -1.029  -0.630  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -4.810  -0.889   0.403  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1       -3.472  -1.120  -0.004  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -3.029  -2.447  -0.113  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -3.873  -3.522   0.178  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.181  -3.294   0.582  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.646  -1.986   0.692  0.00  0.00    +0.017 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -5.453   0.454   0.569  0.00  0.00    +0.341 C 
ATOM     12  O   LIG    1       -6.613   0.601   0.922  0.00  0.00    -0.245 OA
BRANCH  11  14
ATOM     13  C   LIG    1       -5.175   2.773   0.449  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1       -4.600   1.473   0.282  0.00  0.00    -0.464 OA
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1       -0.707   1.341  -0.908  0.00  0.00    +0.173 C 
BRANCH  15  16
ATOM     16  S   LIG    1        0.186   1.950   0.546  0.00  0.00    -0.079 S 
BRANCH  16  17
ATOM     17  C   LIG    1        1.756   1.276   0.299  0.00  0.00    +0.168 A 
ATOM     18  N   LIG    1        1.954  -0.063   0.117  0.00  0.00    -0.333 N 
ATOM     19  H   LIG    1        1.226  -0.767   0.069  0.00  0.00    +0.168 HD
ATOM     20  C   LIG    1        3.301  -0.268  -0.035  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1        3.856   1.002   0.084  0.00  0.00    +0.093 A 
ATOM     22  C   LIG    1        5.248   1.161  -0.019  0.00  0.00    +0.075 A 
ATOM     23  C   LIG    1        6.039   0.027  -0.242  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        5.444  -1.236  -0.360  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        4.059  -1.417  -0.260  0.00  0.00    +0.031 A 
ATOM     26  N   LIG    1        2.881   1.949   0.294  0.00  0.00    -0.222 NA
BRANCH  23  27
ATOM     27  O   LIG    1        7.404   0.021  -0.366  0.00  0.00    -0.495 OA
ATOM     28  C   LIG    1        8.064   1.275  -0.238  0.00  0.00    +0.277 C 
ENDBRANCH  23  27
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 7