REMARK  Name = BDB033454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.240   2.173   0.553  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1       -1.714   3.078   0.569  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        0.352  -0.915  -2.634  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.472   0.472  -2.326  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -0.325   0.710  -1.203  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -0.452   1.977  -0.623  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1        0.274   3.031  -1.187  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        1.077   2.824  -2.307  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.912  -0.488  -0.861  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -1.527  -0.603  -0.062  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1        1.184   1.554  -2.887  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -0.500  -1.481  -1.709  0.00  0.00    +0.102 A 
BRANCH   3  14
ATOM     13  N   LIG    1        1.518  -2.186  -4.566  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1        0.993  -1.619  -3.699  0.00  0.00    +0.101 C 
ENDBRANCH   3  14
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  S   LIG    1       -0.409   2.025   2.033  0.00  0.00    +0.090 S 
ATOM     16  O   LIG    1       -1.363   2.320   3.081  0.00  0.00    -0.148 OA
ATOM     17  O   LIG    1        0.851   2.732   1.945  0.00  0.00    -0.148 OA
BRANCH  15  18
ATOM     18  C   LIG    1        0.016   0.348   2.308  0.00  0.00    +0.204 A 
ATOM     19  N   LIG    1       -0.895  -0.693   2.072  0.00  0.00    -0.219 NA
ATOM     20  C   LIG    1       -0.344  -1.849   2.409  0.00  0.00    +0.146 A 
ATOM     21  S   LIG    1        1.294  -1.752   2.935  0.00  0.00    -0.073 S 
ATOM     22  C   LIG    1        1.252  -0.049   2.776  0.00  0.00    +0.096 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -1.030  -3.183   2.331  0.00  0.00    +0.396 C 
ATOM     24  F   LIG    1       -0.567  -4.070   3.255  0.00  0.00    -0.202 F 
ATOM     25  F   LIG    1       -0.836  -3.760   1.111  0.00  0.00    -0.202 F 
ENDBRANCH  20  23
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5