REMARK  Name = BDB015588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.637   1.202  -0.133  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.407   0.850   1.132  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.128   0.585   1.419  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.886   0.597   0.537  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.599   0.959  -0.729  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.679   1.300  -1.111  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.757   1.000  -1.660  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.601   0.708  -2.967  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.659   0.727  -3.865  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.390   0.414  -5.260  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.962   1.035  -3.479  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.933   1.075  -4.229  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.149   1.332  -2.037  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.105   1.307  -1.200  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.995   1.490  -0.362  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        3.503   1.689   0.498  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.852   0.553  -1.447  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        3.045   0.339  -2.631  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        5.150   1.186  -1.563  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.118  -1.042  -0.614  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        2.881  -1.935  -0.669  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        5.197  -2.139   1.422  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        4.665  -0.852   0.808  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -0.109   0.185   2.727  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.405   0.313   3.166  0.00  0.00    +0.170 A 
ATOM     26  C   LIG    1       -1.971   1.580   3.338  0.00  0.00    +0.166 A 
ATOM     27  F   LIG    1       -1.261   2.683   3.056  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -3.273   1.719   3.806  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.016   0.582   4.115  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -3.450  -0.689   3.963  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -2.132  -0.838   3.505  0.00  0.00    -0.005 A 
ATOM     32  C   LIG    1       -1.543  -2.208   3.330  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7